N,N-dimethyl-3-[3-(2-methylpropyl)piperazin-1-yl]aniline

C16H27N3 — CID 115379281

IUPACN,N-dimethyl-3-[3-(2-methylpropyl)piperazin-1-yl]aniline
SMILESCC(C)CC1CN(c2cccc(N(C)C)c2)CCN1
InChIInChI=1S/C16H27N3/c1-13(2)10-14-12-19(9-8-17-14)16-7-5-6-15(11-16)18(3)4/h5-7,11,13-14,17H,8-10,12H2,1-4H3
InChIKeyNJUWJQVVXOVTMS-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.58
Rot. Bonds4

About N,N-dimethyl-3-[3-(2-methylpropyl)piperazin-1-yl]aniline

N,N-dimethyl-3-[3-(2-methylpropyl)piperazin-1-yl]aniline (PubChem CID 115379281) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-(2-methylpropyl)piperazin-1-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-(2-methylpropyl)piperazin-1-yl]aniline
PubChem CID115379281
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN,N-dimethyl-3-[3-(2-methylpropyl)piperazin-1-yl]aniline
SMILESCC(C)CC1CN(c2cccc(N(C)C)c2)CCN1
InChIInChI=1S/C16H27N3/c1-13(2)10-14-12-19(9-8-17-14)16-7-5-6-15(11-16)18(3)4/h5-7,11,13-14,17H,8-10,12H2,1-4H3
InChIKeyNJUWJQVVXOVTMS-UHFFFAOYSA-N
XLogP2.58
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine
CID 64919809
N,N-dimethyl-4-[3-(2-methylpropyl)-1,4-diazepan-1-yl]aniline
CID 64944334
3-(3-tert-butylpiperazin-1-yl)-N,N-dimethylaniline
CID 115379271
1-(3,4-difluorophenyl)-3-(2-methylpropyl)piperazine
CID 64924018
N,N-dimethyl-3-(3-phenylpiperazin-1-yl)aniline
CID 115379314
3-(2-methylpropyl)-1-phenyl-1,4-diazepane
CID 64943310
1-(6-bromonaphthalen-2-yl)-3-(2-methylpropyl)piperazine
CID 81267331
1-(4-bromo-3-fluorophenyl)-3-(2-methylpropyl)piperazine
CID 65430675
1-(3-chloro-4-fluorophenyl)-3-(2-methylpropyl)piperazine
CID 64923715
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(2-methylpropyl)piperazine
CID 64923799
6-[3-(2-methylpropyl)piperazin-1-yl]-1,3-benzothiazole
CID 107806622
3-(2-methylpropyl)-1-(2-propan-2-ylphenyl)piperazine
CID 64923787

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-(2-methylpropyl)piperazin-1-yl]aniline?
The IUPAC name of N,N-dimethyl-3-[3-(2-methylpropyl)piperazin-1-yl]aniline (CID 115379281) is N,N-dimethyl-3-[3-(2-methylpropyl)piperazin-1-yl]aniline.
What is the SMILES notation for N,N-dimethyl-3-[3-(2-methylpropyl)piperazin-1-yl]aniline?
The canonical SMILES for N,N-dimethyl-3-[3-(2-methylpropyl)piperazin-1-yl]aniline is CC(C)CC1CN(c2cccc(N(C)C)c2)CCN1.
What is the InChIKey of N,N-dimethyl-3-[3-(2-methylpropyl)piperazin-1-yl]aniline?
The InChIKey is NJUWJQVVXOVTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13(2)10-14-12-19(9-8-17-14)16-7-5-6-15(11-16)18(3)4/h5-7,11,13-14,17H,8-10,12H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[3-(2-methylpropyl)piperazin-1-yl]aniline?
N,N-dimethyl-3-[3-(2-methylpropyl)piperazin-1-yl]aniline has a molecular weight of 261.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-(2-methylpropyl)piperazin-1-yl]aniline is sourced from PubChem (CID 115379281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).