N-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine

C15H32N2 — CID 62591680

IUPACN-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine
SMILESCCCCCCN1CCC(CNCCC)CC1
InChIInChI=1S/C15H32N2/c1-3-5-6-7-11-17-12-8-15(9-13-17)14-16-10-4-2/h15-16H,3-14H2,1-2H3
InChIKeyDZTNWTLEWGLZJU-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.28
Rot. Bonds9

About N-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine

N-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine (PubChem CID 62591680) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine
PubChem CID62591680
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine
SMILESCCCCCCN1CCC(CNCCC)CC1
InChIInChI=1S/C15H32N2/c1-3-5-6-7-11-17-12-8-15(9-13-17)14-16-10-4-2/h15-16H,3-14H2,1-2H3
InChIKeyDZTNWTLEWGLZJU-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.28
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

N-[(1-decylpiperidin-3-yl)methyl]propan-1-amine
CID 63528370
N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]propan-1-amine
CID 115514231
2-[2-[4-(propylaminomethyl)piperidin-1-yl]ethoxy]ethanol
CID 63849785
N-[(1-methylpiperidin-4-yl)methyl]decan-1-amine
CID 62223084
N-[(1-heptylpiperidin-4-yl)methyl]propan-2-amine
CID 62591501
N-[(1-butylpiperidin-4-yl)methyl]ethanamine;molecular hydrogen
CID 143678489
N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]propan-1-amine
CID 64565266
N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62591685
4-butyl-1-octylpiperidine
CID 171570418
2-methyl-N-[(1-pentylpiperidin-4-yl)methyl]propan-2-amine
CID 62592225
N-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592739
methyl 2-(1-butylpiperidin-4-yl)acetate
CID 29064272

Frequently Asked Questions

What is the IUPAC name of N-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine (CID 62591680) is N-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine is CCCCCCN1CCC(CNCCC)CC1.
What is the InChIKey of N-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine?
The InChIKey is DZTNWTLEWGLZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-3-5-6-7-11-17-12-8-15(9-13-17)14-16-10-4-2/h15-16H,3-14H2,1-2H3.
What are the key properties of N-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine?
N-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 62591680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).