N-[(4-piperidin-1-ylphenyl)methyl]hex-5-yn-1-amine

C18H26N2 — CID 103757663

IUPACN-[(4-piperidin-1-ylphenyl)methyl]hex-5-yn-1-amine
SMILESC#CCCCCNCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H26N2/c1-2-3-4-6-13-19-16-17-9-11-18(12-10-17)20-14-7-5-8-15-20/h1,9-12,19H,3-8,13-16H2
InChIKeyKYGMCOBFPGVSGN-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.57
Rot. Bonds7

About N-[(4-piperidin-1-ylphenyl)methyl]hex-5-yn-1-amine

N-[(4-piperidin-1-ylphenyl)methyl]hex-5-yn-1-amine (PubChem CID 103757663) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[(4-piperidin-1-ylphenyl)methyl]hex-5-yn-1-amine.

Molecular Properties

Compound NameN-[(4-piperidin-1-ylphenyl)methyl]hex-5-yn-1-amine
PubChem CID103757663
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN-[(4-piperidin-1-ylphenyl)methyl]hex-5-yn-1-amine
SMILESC#CCCCCNCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H26N2/c1-2-3-4-6-13-19-16-17-9-11-18(12-10-17)20-14-7-5-8-15-20/h1,9-12,19H,3-8,13-16H2
InChIKeyKYGMCOBFPGVSGN-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-piperidin-1-ylphenyl)methyl]butan-1-amine
CID 29042784
4-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pentan-1-amine
CID 54913869
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
1-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 62866735
2-methylsulfanyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 63001311
3,3-dimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]butan-1-amine
CID 115594019
3,3,3-trifluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]propan-1-amine
CID 63226462
N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058
N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-en-1-amine
CID 43755382
2-methylsulfinyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 115632651

Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-1-ylphenyl)methyl]hex-5-yn-1-amine?
The IUPAC name of N-[(4-piperidin-1-ylphenyl)methyl]hex-5-yn-1-amine (CID 103757663) is N-[(4-piperidin-1-ylphenyl)methyl]hex-5-yn-1-amine.
What is the SMILES notation for N-[(4-piperidin-1-ylphenyl)methyl]hex-5-yn-1-amine?
The canonical SMILES for N-[(4-piperidin-1-ylphenyl)methyl]hex-5-yn-1-amine is C#CCCCCNCc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-[(4-piperidin-1-ylphenyl)methyl]hex-5-yn-1-amine?
The InChIKey is KYGMCOBFPGVSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-2-3-4-6-13-19-16-17-9-11-18(12-10-17)20-14-7-5-8-15-20/h1,9-12,19H,3-8,13-16H2.
What are the key properties of N-[(4-piperidin-1-ylphenyl)methyl]hex-5-yn-1-amine?
N-[(4-piperidin-1-ylphenyl)methyl]hex-5-yn-1-amine has a molecular weight of 270.42 g/mol, XLogP of 3.57, 7 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]hex-5-yn-1-amine is sourced from PubChem (CID 103757663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).