1-benzyl-4-tert-butyl-1,4-diazepane;1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-(2-phenylethyl)piperazine;1-tert-butyl-4-phenylpiperazine;3-(4-tert-butylpiperazin-1-yl)-N,N-dimethylpropan-1-amine;1-tert-butyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperazine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperazine

C134H251N23 — CID 161384366

IUPAC1-benzyl-4-tert-butyl-1,4-diazepane;1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-(2-phenylethyl)piperazine;1-tert-butyl-4-phenylpiperazine;3-(4-tert-butylpiperazin-1-yl)-N,N-dimethylpropan-1-amine;1-tert-butyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperazine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperazine
SMILESCC(C)(C)N1CCCN(CCN2CCCC2)CC1.CC(C)(C)N1CCCN(CCN2CCCCC2)CC1.CC(C)(C)N1CCCN(Cc2ccccc2)CC1.CC(C)(C)N1CCN(CCN2CCCC2)CC1.CC(C)(C)N1CCN(CCN2CCCCC2)CC1.CC(C)(C)N1CCN(CCc2ccccc2)CC1.CC(C)(C)N1CCN(Cc2ccccc2)CC1.CC(C)(C)N1CCN(c2ccccc2)CC1.CN(C)CCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H33N3.2C16H26N2.2C15H31N3.C15H24N2.C14H29N3.C14H22N2.C13H29N3/c1-16(2,3)19-11-7-10-18(14-15-19)13-12-17-8-5-4-6-9-17;1-16(2,3)18-11-7-10-17(12-13-18)14-15-8-5-4-6-9-15;1-16(2,3)18-13-11-17(12-14-18)10-9-15-7-5-4-6-8-15;1-15(2,3)18-10-6-9-17(13-14-18)12-11-16-7-4-5-8-16;1-15(2,3)18-13-11-17(12-14-18)10-9-16-7-5-4-6-8-16;1-15(2,3)17-11-9-16(10-12-17)13-14-7-5-4-6-8-14;1-14(2,3)17-12-10-16(11-13-17)9-8-15-6-4-5-7-15;1-14(2,3)16-11-9-15(10-12-16)13-7-5-4-6-8-13;1-13(2,3)16-11-9-15(10-12-16)8-6-7-14(4)5/h4-15H2,1-3H3;4-6,8-9H,7,10-14H2,1-3H3;4-8H,9-14H2,1-3H3;2*4-14H2,1-3H3;4-8H,9-13H2,1-3H3;4-13H2,1-3H3;4-8H,9-12H2,1-3H3;6-12H2,1-5H3
InChIKeyVSDGCGOCERGROB-UHFFFAOYSA-N
MW2184.64 g/mol
LogP19.76
Rot. Bonds24

About 1-benzyl-4-tert-butyl-1,4-diazepane;1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-(2-phenylethyl)piperazine;1-tert-butyl-4-phenylpiperazine;3-(4-tert-butylpiperazin-1-yl)-N,N-dimethylpropan-1-amine;1-tert-butyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperazine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperazine

1-benzyl-4-tert-butyl-1,4-diazepane;1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-(2-phenylethyl)piperazine;1-tert-butyl-4-phenylpiperazine;3-(4-tert-butylpiperazin-1-yl)-N,N-dimethylpropan-1-amine;1-tert-butyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperazine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperazine (PubChem CID 161384366) has the molecular formula C134H251N23 and a molecular weight of 2184.64 g/mol. Its IUPAC name is 1-benzyl-4-tert-butyl-1,4-diazepane;1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-(2-phenylethyl)piperazine;1-tert-butyl-4-phenylpiperazine;3-(4-tert-butylpiperazin-1-yl)-N,N-dimethylpropan-1-amine;1-tert-butyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperazine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperazine.

Molecular Properties

Compound Name1-benzyl-4-tert-butyl-1,4-diazepane;1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-(2-phenylethyl)piperazine;1-tert-butyl-4-phenylpiperazine;3-(4-tert-butylpiperazin-1-yl)-N,N-dimethylpropan-1-amine;1-tert-butyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperazine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperazine
PubChem CID161384366
Molecular FormulaC134H251N23
Molecular Weight2184.64 g/mol
Exact Mass2183.03
IUPAC Name1-benzyl-4-tert-butyl-1,4-diazepane;1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-(2-phenylethyl)piperazine;1-tert-butyl-4-phenylpiperazine;3-(4-tert-butylpiperazin-1-yl)-N,N-dimethylpropan-1-amine;1-tert-butyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperazine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperazine
SMILESCC(C)(C)N1CCCN(CCN2CCCC2)CC1.CC(C)(C)N1CCCN(CCN2CCCCC2)CC1.CC(C)(C)N1CCCN(Cc2ccccc2)CC1.CC(C)(C)N1CCN(CCN2CCCC2)CC1.CC(C)(C)N1CCN(CCN2CCCCC2)CC1.CC(C)(C)N1CCN(CCc2ccccc2)CC1.CC(C)(C)N1CCN(Cc2ccccc2)CC1.CC(C)(C)N1CCN(c2ccccc2)CC1.CN(C)CCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H33N3.2C16H26N2.2C15H31N3.C15H24N2.C14H29N3.C14H22N2.C13H29N3/c1-16(2,3)19-11-7-10-18(14-15-19)13-12-17-8-5-4-6-9-17;1-16(2,3)18-11-7-10-17(12-13-18)14-15-8-5-4-6-9-15;1-16(2,3)18-13-11-17(12-14-18)10-9-15-7-5-4-6-8-15;1-15(2,3)18-10-6-9-17(13-14-18)12-11-16-7-4-5-8-16;1-15(2,3)18-13-11-17(12-14-18)10-9-16-7-5-4-6-8-16;1-15(2,3)17-11-9-16(10-12-17)13-14-7-5-4-6-8-14;1-14(2,3)17-12-10-16(11-13-17)9-8-15-6-4-5-7-15;1-14(2,3)16-11-9-15(10-12-16)13-7-5-4-6-8-13;1-13(2,3)16-11-9-15(10-12-16)8-6-7-14(4)5/h4-15H2,1-3H3;4-6,8-9H,7,10-14H2,1-3H3;4-8H,9-14H2,1-3H3;2*4-14H2,1-3H3;4-8H,9-13H2,1-3H3;4-13H2,1-3H3;4-8H,9-12H2,1-3H3;6-12H2,1-5H3
InChIKeyVSDGCGOCERGROB-UHFFFAOYSA-N
XLogP19.76
TPSA74.52 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002184.64
LogP ≤ 519.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 1-benzyl-4-tert-butyl-1,4-diazepane;1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-(2-phenylethyl)piperazine;1-tert-butyl-4-phenylpiperazine;3-(4-tert-butylpiperazin-1-yl)-N,N-dimethylpropan-1-amine;1-tert-butyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperazine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-4-(2-phenylethyl)piperazine
CID 21132134
1-benzyl-4-tert-butylpiperazine
CID 3591937
N,N-dimethyl-2-[4-[(4-phenyl-1,4-diazepan-1-yl)methyl]phenoxy]ethanamine
CID 131943317
3-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine
CID 21109896
1-(2-phenylethyl)-4-[4-(piperazin-1-ylmethyl)phenyl]piperazine
CID 134565672
1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
CID 171911015
1-benzylazepane
CID 10954328
1-benzyl-4-(4-phenylbutyl)piperazine;2-[4-(4-phenylpiperazin-1-yl)butyl]isoindole-1,3-dione
CID 67835959
4-(4-benzyl-1,4-diazepan-1-yl)aniline
CID 28809122
N-methyl-N-(2-phenylethyl)-4-(piperidin-1-ylmethyl)aniline;dihydrochloride
CID 67793853
1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;methane;N,N,4,4-tetramethylpentan-1-amine
CID 159084884
1-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine
CID 25147728

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-tert-butyl-1,4-diazepane;1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-(2-phenylethyl)piperazine;1-tert-butyl-4-phenylpiperazine;3-(4-tert-butylpiperazin-1-yl)-N,N-dimethylpropan-1-amine;1-tert-butyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperazine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperazine?
The IUPAC name of 1-benzyl-4-tert-butyl-1,4-diazepane;1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-(2-phenylethyl)piperazine;1-tert-butyl-4-phenylpiperazine;3-(4-tert-butylpiperazin-1-yl)-N,N-dimethylpropan-1-amine;1-tert-butyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperazine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperazine (CID 161384366) is 1-benzyl-4-tert-butyl-1,4-diazepane;1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-(2-phenylethyl)piperazine;1-tert-butyl-4-phenylpiperazine;3-(4-tert-butylpiperazin-1-yl)-N,N-dimethylpropan-1-amine;1-tert-butyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperazine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperazine.
What is the SMILES notation for 1-benzyl-4-tert-butyl-1,4-diazepane;1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-(2-phenylethyl)piperazine;1-tert-butyl-4-phenylpiperazine;3-(4-tert-butylpiperazin-1-yl)-N,N-dimethylpropan-1-amine;1-tert-butyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperazine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperazine?
The canonical SMILES for 1-benzyl-4-tert-butyl-1,4-diazepane;1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-(2-phenylethyl)piperazine;1-tert-butyl-4-phenylpiperazine;3-(4-tert-butylpiperazin-1-yl)-N,N-dimethylpropan-1-amine;1-tert-butyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperazine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperazine is CC(C)(C)N1CCCN(CCN2CCCC2)CC1.CC(C)(C)N1CCCN(CCN2CCCCC2)CC1.CC(C)(C)N1CCCN(Cc2ccccc2)CC1.CC(C)(C)N1CCN(CCN2CCCC2)CC1.CC(C)(C)N1CCN(CCN2CCCCC2)CC1.CC(C)(C)N1CCN(CCc2ccccc2)CC1.CC(C)(C)N1CCN(Cc2ccccc2)CC1.CC(C)(C)N1CCN(c2ccccc2)CC1.CN(C)CCCN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-benzyl-4-tert-butyl-1,4-diazepane;1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-(2-phenylethyl)piperazine;1-tert-butyl-4-phenylpiperazine;3-(4-tert-butylpiperazin-1-yl)-N,N-dimethylpropan-1-amine;1-tert-butyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperazine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperazine?
The InChIKey is VSDGCGOCERGROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3.2C16H26N2.2C15H31N3.C15H24N2.C14H29N3.C14H22N2.C13H29N3/c1-16(2,3)19-11-7-10-18(14-15-19)13-12-17-8-5-4-6-9-17;1-16(2,3)18-11-7-10-17(12-13-18)14-15-8-5-4-6-9-15;1-16(2,3)18-13-11-17(12-14-18)10-9-15-7-5-4-6-8-15;1-15(2,3)18-10-6-9-17(13-14-18)12-11-16-7-4-5-8-16;1-15(2,3)18-13-11-17(12-14-18)10-9-16-7-5-4-6-8-16;1-15(2,3)17-11-9-16(10-12-17)13-14-7-5-4-6-8-14;1-14(2,3)17-12-10-16(11-13-17)9-8-15-6-4-5-7-15;1-14(2,3)16-11-9-15(10-12-16)13-7-5-4-6-8-13;1-13(2,3)16-11-9-15(10-12-16)8-6-7-14(4)5/h4-15H2,1-3H3;4-6,8-9H,7,10-14H2,1-3H3;4-8H,9-14H2,1-3H3;2*4-14H2,1-3H3;4-8H,9-13H2,1-3H3;4-13H2,1-3H3;4-8H,9-12H2,1-3H3;6-12H2,1-5H3.
What are the key properties of 1-benzyl-4-tert-butyl-1,4-diazepane;1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-(2-phenylethyl)piperazine;1-tert-butyl-4-phenylpiperazine;3-(4-tert-butylpiperazin-1-yl)-N,N-dimethylpropan-1-amine;1-tert-butyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperazine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperazine?
1-benzyl-4-tert-butyl-1,4-diazepane;1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-(2-phenylethyl)piperazine;1-tert-butyl-4-phenylpiperazine;3-(4-tert-butylpiperazin-1-yl)-N,N-dimethylpropan-1-amine;1-tert-butyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperazine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperazine has a molecular weight of 2184.64 g/mol, XLogP of 19.76, 24 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-tert-butyl-1,4-diazepane;1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-(2-phenylethyl)piperazine;1-tert-butyl-4-phenylpiperazine;3-(4-tert-butylpiperazin-1-yl)-N,N-dimethylpropan-1-amine;1-tert-butyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperazine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperazine is sourced from PubChem (CID 161384366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).