1-(3-amino-2-phenylpropyl)-N,N-dimethylpiperidin-4-amine

C16H27N3 — CID 43585763

IUPAC1-(3-amino-2-phenylpropyl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(CC(CN)c2ccccc2)CC1
InChIInChI=1S/C16H27N3/c1-18(2)16-8-10-19(11-9-16)13-15(12-17)14-6-4-3-5-7-14/h3-7,15-16H,8-13,17H2,1-2H3
InChIKeyRILKTVSCLKGCGE-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.75
Rot. Bonds5

About 1-(3-amino-2-phenylpropyl)-N,N-dimethylpiperidin-4-amine

1-(3-amino-2-phenylpropyl)-N,N-dimethylpiperidin-4-amine (PubChem CID 43585763) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(3-amino-2-phenylpropyl)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-amino-2-phenylpropyl)-N,N-dimethylpiperidin-4-amine
PubChem CID43585763
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-(3-amino-2-phenylpropyl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(CC(CN)c2ccccc2)CC1
InChIInChI=1S/C16H27N3/c1-18(2)16-8-10-19(11-9-16)13-15(12-17)14-6-4-3-5-7-14/h3-7,15-16H,8-13,17H2,1-2H3
InChIKeyRILKTVSCLKGCGE-UHFFFAOYSA-N
XLogP1.75
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-amino-2-phenylpropyl)-N,N-dimethylpiperidin-4-amine 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

(2S)-3-(4-methylpiperazin-1-yl)-2-phenylpropan-1-amine
CID 93102230
3-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-amine
CID 62368084
1-(2-aminophenyl)-2-[4-(dimethylamino)piperidin-1-yl]ethanol
CID 62265781
3-(2-ethylmorpholin-4-yl)-2-phenylpropan-1-amine
CID 43562330
3-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylpropanethioamide
CID 64536326
N,N-dimethyl-1-[2-(methylamino)-2-phenylethyl]pyrrolidin-3-amine
CID 63164036
1-[2-(aminomethyl)-3-methylbutyl]-N,N-dimethylpiperidin-4-amine
CID 65227991
[1-[3-[benzyl(methyl)amino]-2-phenylpropyl]piperidin-4-yl]urea
CID 126832937
1-(3-bromophenyl)-2-[4-(dimethylamino)piperidin-1-yl]ethanol
CID 110898476
4-(3-amino-2-phenylpropyl)-1-methyl-1,4-diazepan-2-one
CID 102888622
1-(2-amino-2-thiophen-2-ylethyl)-N,N-dimethylpiperidin-4-amine
CID 113279390
4-(3-amino-2-phenylpropyl)morpholin-3-one
CID 79468237

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-phenylpropyl)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(3-amino-2-phenylpropyl)-N,N-dimethylpiperidin-4-amine (CID 43585763) is 1-(3-amino-2-phenylpropyl)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(3-amino-2-phenylpropyl)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(3-amino-2-phenylpropyl)-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(CC(CN)c2ccccc2)CC1.
What is the InChIKey of 1-(3-amino-2-phenylpropyl)-N,N-dimethylpiperidin-4-amine?
The InChIKey is RILKTVSCLKGCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-18(2)16-8-10-19(11-9-16)13-15(12-17)14-6-4-3-5-7-14/h3-7,15-16H,8-13,17H2,1-2H3.
What are the key properties of 1-(3-amino-2-phenylpropyl)-N,N-dimethylpiperidin-4-amine?
1-(3-amino-2-phenylpropyl)-N,N-dimethylpiperidin-4-amine has a molecular weight of 261.41 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-phenylpropyl)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 43585763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).