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

C16H26N2 — CID 29042784

IUPACN-[(4-piperidin-1-ylphenyl)methyl]butan-1-amine
SMILESCCCCNCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C16H26N2/c1-2-3-11-17-14-15-7-9-16(10-8-15)18-12-5-4-6-13-18/h7-10,17H,2-6,11-14H2,1H3
InChIKeyOSABFFUHPGBMDW-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.57
Rot. Bonds6

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

N-[(4-piperidin-1-ylphenyl)methyl]butan-1-amine (PubChem CID 29042784) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[(4-piperidin-1-ylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(4-piperidin-1-ylphenyl)methyl]butan-1-amine
PubChem CID29042784
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[(4-piperidin-1-ylphenyl)methyl]butan-1-amine
SMILESCCCCNCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C16H26N2/c1-2-3-11-17-14-15-7-9-16(10-8-15)18-12-5-4-6-13-18/h7-10,17H,2-6,11-14H2,1H3
InChIKeyOSABFFUHPGBMDW-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.57
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

4-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pentan-1-amine
CID 54913869
N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058
N-[(4-piperidin-1-ylphenyl)methyl]hex-5-yn-1-amine
CID 103757663
3,3-dimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]butan-1-amine
CID 115594019
2-methylsulfanyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 63001311
4-[(4-pyrrolidin-1-ylphenyl)methylamino]butanamide
CID 60864122
2-pyrrolidin-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43767984
2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine
CID 55378279
N-[[4-(1,4-thiazepan-4-yl)phenyl]methyl]propan-1-amine
CID 61419465
2-methylsulfinyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 115632651
N-propyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide
CID 43777789
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-pentoxybutan-1-amine
CID 163401519

Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-1-ylphenyl)methyl]butan-1-amine?
The IUPAC name of N-[(4-piperidin-1-ylphenyl)methyl]butan-1-amine (CID 29042784) is N-[(4-piperidin-1-ylphenyl)methyl]butan-1-amine.
What is the SMILES notation for N-[(4-piperidin-1-ylphenyl)methyl]butan-1-amine?
The canonical SMILES for N-[(4-piperidin-1-ylphenyl)methyl]butan-1-amine is CCCCNCc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-[(4-piperidin-1-ylphenyl)methyl]butan-1-amine?
The InChIKey is OSABFFUHPGBMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-3-11-17-14-15-7-9-16(10-8-15)18-12-5-4-6-13-18/h7-10,17H,2-6,11-14H2,1H3.
What are the key properties of N-[(4-piperidin-1-ylphenyl)methyl]butan-1-amine?
N-[(4-piperidin-1-ylphenyl)methyl]butan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.57, 6 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]butan-1-amine is sourced from PubChem (CID 29042784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).