1-[3-(dimethylamino)phenyl]-N-propan-2-ylpiperidin-3-amine

C16H27N3 — CID 115379191

IUPAC1-[3-(dimethylamino)phenyl]-N-propan-2-ylpiperidin-3-amine
SMILESCC(C)NC1CCCN(c2cccc(N(C)C)c2)C1
InChIInChI=1S/C16H27N3/c1-13(2)17-14-7-6-10-19(12-14)16-9-5-8-15(11-16)18(3)4/h5,8-9,11,13-14,17H,6-7,10,12H2,1-4H3
InChIKeyMKIHEHLMMPAYEW-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.72
Rot. Bonds4

About 1-[3-(dimethylamino)phenyl]-N-propan-2-ylpiperidin-3-amine

1-[3-(dimethylamino)phenyl]-N-propan-2-ylpiperidin-3-amine (PubChem CID 115379191) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenyl]-N-propan-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenyl]-N-propan-2-ylpiperidin-3-amine
PubChem CID115379191
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-[3-(dimethylamino)phenyl]-N-propan-2-ylpiperidin-3-amine
SMILESCC(C)NC1CCCN(c2cccc(N(C)C)c2)C1
InChIInChI=1S/C16H27N3/c1-13(2)17-14-7-6-10-19(12-14)16-9-5-8-15(11-16)18(3)4/h5,8-9,11,13-14,17H,6-7,10,12H2,1-4H3
InChIKeyMKIHEHLMMPAYEW-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2-methylphenyl)-N-propan-2-ylpiperidin-3-amine
CID 107639780
1-(3-chloro-5-fluorophenyl)-N-propan-2-ylpiperidin-3-amine
CID 107370782
N,N-dimethyl-3-[3-(2-methylpropyl)piperazin-1-yl]aniline
CID 115379281
N,N-dimethyl-3-(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)aniline
CID 115379260
3-(3-cyclopropyl-3-methyl-1,4-diazepan-1-yl)-N,N-dimethylaniline
CID 115379292
cyclopropyl-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]methanone
CID 110478194
3-(3-tert-butylpiperazin-1-yl)-N,N-dimethylaniline
CID 115379271
1-(2-bromo-4-chlorophenyl)-N-propan-2-ylpiperidin-3-amine
CID 81271882
N,N-dimethyl-3-(3-phenylpiperazin-1-yl)aniline
CID 115379314
methyl 4-[3-(dimethylamino)phenyl]piperazine-1-carboxylate
CID 110477788
1-(2,6-difluoro-3-methylphenyl)-N-propan-2-ylpiperidin-3-amine
CID 82819911
2-[methyl(propan-2-yl)amino]-N-(1-phenylpiperidin-3-yl)acetamide
CID 136526077

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenyl]-N-propan-2-ylpiperidin-3-amine?
The IUPAC name of 1-[3-(dimethylamino)phenyl]-N-propan-2-ylpiperidin-3-amine (CID 115379191) is 1-[3-(dimethylamino)phenyl]-N-propan-2-ylpiperidin-3-amine.
What is the SMILES notation for 1-[3-(dimethylamino)phenyl]-N-propan-2-ylpiperidin-3-amine?
The canonical SMILES for 1-[3-(dimethylamino)phenyl]-N-propan-2-ylpiperidin-3-amine is CC(C)NC1CCCN(c2cccc(N(C)C)c2)C1.
What is the InChIKey of 1-[3-(dimethylamino)phenyl]-N-propan-2-ylpiperidin-3-amine?
The InChIKey is MKIHEHLMMPAYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13(2)17-14-7-6-10-19(12-14)16-9-5-8-15(11-16)18(3)4/h5,8-9,11,13-14,17H,6-7,10,12H2,1-4H3.
What are the key properties of 1-[3-(dimethylamino)phenyl]-N-propan-2-ylpiperidin-3-amine?
1-[3-(dimethylamino)phenyl]-N-propan-2-ylpiperidin-3-amine has a molecular weight of 261.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)phenyl]-N-propan-2-ylpiperidin-3-amine is sourced from PubChem (CID 115379191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).