1,3-dimethyl-N-(1-phenylpiperidin-4-yl)piperidin-4-amine

C18H29N3 — CID 103778408

IUPAC1,3-dimethyl-N-(1-phenylpiperidin-4-yl)piperidin-4-amine
SMILESCC1CN(C)CCC1NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H29N3/c1-15-14-20(2)11-10-18(15)19-16-8-12-21(13-9-16)17-6-4-3-5-7-17/h3-7,15-16,18-19H,8-14H2,1-2H3
InChIKeyRZDXRLVTDKEKFW-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.59
Rot. Bonds3

About 1,3-dimethyl-N-(1-phenylpiperidin-4-yl)piperidin-4-amine

1,3-dimethyl-N-(1-phenylpiperidin-4-yl)piperidin-4-amine (PubChem CID 103778408) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1,3-dimethyl-N-(1-phenylpiperidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(1-phenylpiperidin-4-yl)piperidin-4-amine
PubChem CID103778408
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1,3-dimethyl-N-(1-phenylpiperidin-4-yl)piperidin-4-amine
SMILESCC1CN(C)CCC1NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H29N3/c1-15-14-20(2)11-10-18(15)19-16-8-12-21(13-9-16)17-6-4-3-5-7-17/h3-7,15-16,18-19H,8-14H2,1-2H3
InChIKeyRZDXRLVTDKEKFW-UHFFFAOYSA-N
XLogP2.59
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-1,3-dimethyl-N-phenylpiperidin-4-amine
CID 15541148
4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine
CID 102672687
N-cyclobutyl-1-phenylpiperidin-4-amine
CID 103901830
1,3-dimethyl-N-(2-methylcyclobutyl)piperidin-4-amine
CID 130171575
1,3-dimethyl-N-(thian-4-yl)piperidin-4-amine
CID 115615447
(3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine
CID 11172331
N-(1,3-dimethylpiperidin-4-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 114503286
N-[(2-methylcyclopropyl)methyl]-1-phenylpiperidin-4-amine
CID 103779083
ethane;4-methyl-1-phenylpiperidine
CID 143180672
N-(2,4-dimethylcyclohexyl)-1-pyridin-4-ylpiperidin-4-amine
CID 63996073
1,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine
CID 115615391
1-methyl-3-(4-phenylpiperazin-1-yl)piperidin-4-amine
CID 82171483

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(1-phenylpiperidin-4-yl)piperidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-(1-phenylpiperidin-4-yl)piperidin-4-amine (CID 103778408) is 1,3-dimethyl-N-(1-phenylpiperidin-4-yl)piperidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-(1-phenylpiperidin-4-yl)piperidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-(1-phenylpiperidin-4-yl)piperidin-4-amine is CC1CN(C)CCC1NC1CCN(c2ccccc2)CC1.
What is the InChIKey of 1,3-dimethyl-N-(1-phenylpiperidin-4-yl)piperidin-4-amine?
The InChIKey is RZDXRLVTDKEKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-15-14-20(2)11-10-18(15)19-16-8-12-21(13-9-16)17-6-4-3-5-7-17/h3-7,15-16,18-19H,8-14H2,1-2H3.
What are the key properties of 1,3-dimethyl-N-(1-phenylpiperidin-4-yl)piperidin-4-amine?
1,3-dimethyl-N-(1-phenylpiperidin-4-yl)piperidin-4-amine has a molecular weight of 287.45 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(1-phenylpiperidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 103778408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).