1-tert-butyl-N,N-dimethylpiperidin-4-amine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;methane

C44H101N7 — CID 161347210

IUPAC1-tert-butyl-N,N-dimethylpiperidin-4-amine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;methane
SMILESC.C.C.CC(C)(C)CN1CCCCC1.CN(C)C1CCN(C(C)(C)C)CC1.CN1CCC(N(C)C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/2C11H24N2.C10H21N.C9H20N2.3CH4/c1-11(2,3)13(5)10-6-8-12(4)9-7-10;1-11(2,3)13-8-6-10(7-9-13)12(4)5;1-10(2,3)9-11-7-5-4-6-8-11;1-9(2,3)11-7-5-10(4)6-8-11;;;/h2*10H,6-9H2,1-5H3;4-9H2,1-3H3;5-8H2,1-4H3;3*1H4
InChIKeyVNLQYRFUCGGYMW-UHFFFAOYSA-N
MW728.34 g/mol
LogP9.08
Rot. Bonds3

About 1-tert-butyl-N,N-dimethylpiperidin-4-amine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;methane

1-tert-butyl-N,N-dimethylpiperidin-4-amine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;methane (PubChem CID 161347210) has the molecular formula C44H101N7 and a molecular weight of 728.34 g/mol. Its IUPAC name is 1-tert-butyl-N,N-dimethylpiperidin-4-amine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;methane.

Molecular Properties

Compound Name1-tert-butyl-N,N-dimethylpiperidin-4-amine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;methane
PubChem CID161347210
Molecular FormulaC44H101N7
Molecular Weight728.34 g/mol
Exact Mass727.81
IUPAC Name1-tert-butyl-N,N-dimethylpiperidin-4-amine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;methane
SMILESC.C.C.CC(C)(C)CN1CCCCC1.CN(C)C1CCN(C(C)(C)C)CC1.CN1CCC(N(C)C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/2C11H24N2.C10H21N.C9H20N2.3CH4/c1-11(2,3)13(5)10-6-8-12(4)9-7-10;1-11(2,3)13-8-6-10(7-9-13)12(4)5;1-10(2,3)9-11-7-5-4-6-8-11;1-9(2,3)11-7-5-10(4)6-8-11;;;/h2*10H,6-9H2,1-5H3;4-9H2,1-3H3;5-8H2,1-4H3;3*1H4
InChIKeyVNLQYRFUCGGYMW-UHFFFAOYSA-N
XLogP9.08
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.34
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-tert-butyl-N,N-dimethylpiperidin-4-amine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;methane 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

4-(1-Piperidyl)-1-[3-[4-(1-piperidyl)-1-piperidyl]propyl]piperidine
CID 455458
2-[4-(3-Fluoro-1-methylpiperidin-4-yl)-1-methylpiperazin-2-yl]-4-methyl-1-(1-methylpiperidin-4-yl)piperazine
CID 170006948
1,4,8,11-Tetrakis(2-piperidin-1-ylethyl)-1,4,8,11-tetrazacyclotetradecane
CID 69751149
1-Methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 91309276
1-[4-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]butan-2-yl]-N,N-dimethylpiperidin-3-amine
CID 123473478
1-Methyl-4-[1-[2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperidin-4-yl]piperazine
CID 129212775
1-Methyl-4-[2-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propan-2-yl]piperazine
CID 130208256
1-tert-butyl-4-[1-[5-[4-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]piperazin-1-yl]-2,2,5-trimethylhexyl]piperidin-4-yl]piperazine
CID 134339698
1-tert-butyl-4-[1-[4-[4-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]piperazin-1-yl]-2,2,4-trimethylpentyl]piperidin-4-yl]piperazine
CID 134582770
3,9-Dimethyl-4-[1-methyl-4-(2-piperidin-1-ylethyl)piperazin-2-yl]-3,9-diazaspiro[5.5]undecane
CID 134591073
(2S)-1-methyl-2-[(1-methyl-4-propan-2-ylpiperazin-2-yl)methyl]-6-[[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methyl]-4-propan-2-ylpiperazine
CID 138551332
(2S)-1-methyl-2-[2-[1-methyl-4-[(2S,3R)-3-(4-methylpiperazin-1-yl)butan-2-yl]piperazin-2-yl]ethyl]-6-[[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methyl]-4-propan-2-ylpiperazine
CID 138578614

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N,N-dimethylpiperidin-4-amine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;methane?
The IUPAC name of 1-tert-butyl-N,N-dimethylpiperidin-4-amine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;methane (CID 161347210) is 1-tert-butyl-N,N-dimethylpiperidin-4-amine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;methane.
What is the SMILES notation for 1-tert-butyl-N,N-dimethylpiperidin-4-amine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;methane?
The canonical SMILES for 1-tert-butyl-N,N-dimethylpiperidin-4-amine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;methane is C.C.C.CC(C)(C)CN1CCCCC1.CN(C)C1CCN(C(C)(C)C)CC1.CN1CCC(N(C)C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-N,N-dimethylpiperidin-4-amine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;methane?
The InChIKey is VNLQYRFUCGGYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H24N2.C10H21N.C9H20N2.3CH4/c1-11(2,3)13(5)10-6-8-12(4)9-7-10;1-11(2,3)13-8-6-10(7-9-13)12(4)5;1-10(2,3)9-11-7-5-4-6-8-11;1-9(2,3)11-7-5-10(4)6-8-11;;;/h2*10H,6-9H2,1-5H3;4-9H2,1-3H3;5-8H2,1-4H3;3*1H4.
What are the key properties of 1-tert-butyl-N,N-dimethylpiperidin-4-amine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;methane?
1-tert-butyl-N,N-dimethylpiperidin-4-amine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;methane has a molecular weight of 728.34 g/mol, XLogP of 9.08, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N,N-dimethylpiperidin-4-amine;N-tert-butyl-N,1-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;methane is sourced from PubChem (CID 161347210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).