N-[(4-piperidin-1-ylphenyl)methyl]propan-2-amine

C15H24N2 — CID 7060595

IUPACN-[(4-piperidin-1-ylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C15H24N2/c1-13(2)16-12-14-6-8-15(9-7-14)17-10-4-3-5-11-17/h6-9,13,16H,3-5,10-12H2,1-2H3
InChIKeyNDBGEFCTVZDCHP-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.17
Rot. Bonds4

About N-[(4-piperidin-1-ylphenyl)methyl]propan-2-amine

N-[(4-piperidin-1-ylphenyl)methyl]propan-2-amine (PubChem CID 7060595) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[(4-piperidin-1-ylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-piperidin-1-ylphenyl)methyl]propan-2-amine
PubChem CID7060595
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[(4-piperidin-1-ylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C15H24N2/c1-13(2)16-12-14-6-8-15(9-7-14)17-10-4-3-5-11-17/h6-9,13,16H,3-5,10-12H2,1-2H3
InChIKeyNDBGEFCTVZDCHP-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[(4-piperidin-1-ylphenyl)methyl]propan-2-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

N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 43280408
3-methyl-2-[(4-piperidin-1-ylphenyl)methylamino]butan-1-ol
CID 79254755
N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 43281242
1-[(4-piperidin-1-ylphenyl)methyl]-3-propan-2-ylurea
CID 47278796
N-[[4-(4-methylazepan-1-yl)phenyl]methyl]propan-2-amine
CID 63624296
(1R)-1-(furan-2-yl)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine
CID 81392851
methyl 2-[(4-pyrrolidin-1-ylphenyl)methylamino]propanoate
CID 60781924
4-methylsulfinyl-N-[(4-piperidin-1-ylphenyl)methyl]butan-2-amine
CID 115688240
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62438547
1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-ol
CID 62943393
1-pyridin-3-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43768120
N,N-dimethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]propanamide
CID 43778128

Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-1-ylphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(4-piperidin-1-ylphenyl)methyl]propan-2-amine (CID 7060595) is N-[(4-piperidin-1-ylphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-piperidin-1-ylphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-piperidin-1-ylphenyl)methyl]propan-2-amine is CC(C)NCc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-[(4-piperidin-1-ylphenyl)methyl]propan-2-amine?
The InChIKey is NDBGEFCTVZDCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-13(2)16-12-14-6-8-15(9-7-14)17-10-4-3-5-11-17/h6-9,13,16H,3-5,10-12H2,1-2H3.
What are the key properties of N-[(4-piperidin-1-ylphenyl)methyl]propan-2-amine?
N-[(4-piperidin-1-ylphenyl)methyl]propan-2-amine has a molecular weight of 232.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-1-ylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 7060595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).