N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropan-1-amine

C18H30N2 — CID 28525953

IUPACN-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropan-1-amine
SMILESCC1CCN(CCCNCCCc2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-17-10-15-20(16-11-17)14-6-13-19-12-5-9-18-7-3-2-4-8-18/h2-4,7-8,17,19H,5-6,9-16H2,1H3
InChIKeyQCWPQYDDWPBVIC-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.33
Rot. Bonds8

About N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropan-1-amine

N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropan-1-amine (PubChem CID 28525953) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropan-1-amine
PubChem CID28525953
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropan-1-amine
SMILESCC1CCN(CCCNCCCc2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-17-10-15-20(16-11-17)14-6-13-19-12-5-9-18-7-3-2-4-8-18/h2-4,7-8,17,19H,5-6,9-16H2,1H3
InChIKeyQCWPQYDDWPBVIC-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-(4-phenylbutyl)piperidine
CID 118534913
3-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 28658239
1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine
CID 24786198
N-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679808
2-methyl-1-[4-(4-methylpiperidin-1-yl)butyl]-3-(2-phenylethyl)guanidine
CID 111135431
N-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]ethanamine
CID 114333870
N-[(2,6-difluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679814
N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropan-1-amine
CID 60856584
3-[3-(4-methylpiperidin-1-yl)propyl]aniline
CID 28721152
N',4-dimethyl-N-(3-phenylpropyl)piperidine-1-carboximidamide
CID 111210681
3-(4-methylpiperidin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 29053338
N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 6624412

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropan-1-amine?
The IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropan-1-amine (CID 28525953) is N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropan-1-amine.
What is the SMILES notation for N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropan-1-amine?
The canonical SMILES for N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropan-1-amine is CC1CCN(CCCNCCCc2ccccc2)CC1.
What is the InChIKey of N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropan-1-amine?
The InChIKey is QCWPQYDDWPBVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-17-10-15-20(16-11-17)14-6-13-19-12-5-9-18-7-3-2-4-8-18/h2-4,7-8,17,19H,5-6,9-16H2,1H3.
What are the key properties of N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropan-1-amine?
N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropan-1-amine is sourced from PubChem (CID 28525953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).