N-butyl-N-(piperidin-4-ylmethyl)pentan-1-amine

C15H32N2 — CID 94810456

IUPACN-butyl-N-(piperidin-4-ylmethyl)pentan-1-amine
SMILESCCCCCN(CCCC)CC1CCNCC1
InChIInChI=1S/C15H32N2/c1-3-5-7-13-17(12-6-4-2)14-15-8-10-16-11-9-15/h15-16H,3-14H2,1-2H3
InChIKeySRAFFXKUQHVXNT-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.28
Rot. Bonds9

About N-butyl-N-(piperidin-4-ylmethyl)pentan-1-amine

N-butyl-N-(piperidin-4-ylmethyl)pentan-1-amine (PubChem CID 94810456) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-butyl-N-(piperidin-4-ylmethyl)pentan-1-amine.

Molecular Properties

Compound NameN-butyl-N-(piperidin-4-ylmethyl)pentan-1-amine
PubChem CID94810456
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-butyl-N-(piperidin-4-ylmethyl)pentan-1-amine
SMILESCCCCCN(CCCC)CC1CCNCC1
InChIInChI=1S/C15H32N2/c1-3-5-7-13-17(12-6-4-2)14-15-8-10-16-11-9-15/h15-16H,3-14H2,1-2H3
InChIKeySRAFFXKUQHVXNT-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-ethyl-N-(piperidin-4-ylmethyl)hexan-1-amine
CID 79715887
N-(cyclopropylmethyl)-N-propylpentan-1-amine
CID 89142496
N-(cyclopropylmethyl)-N-propylbutan-1-amine
CID 89097130
5-[ethyl(piperidin-4-ylmethyl)amino]pentan-1-ol
CID 79716629
N-ethyl-4-methylsulfanyl-N-(piperidin-4-ylmethyl)butan-1-amine
CID 103089513
N-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)butan-1-amine
CID 104648606
N,N-diethyl-4-piperidin-4-ylbutan-1-amine
CID 10081918
N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 103181619
N-(piperidin-4-ylmethyl)-N-propylnonan-2-amine
CID 79715186
N-methyl-N-(piperidin-4-ylmethyl)heptan-2-amine
CID 80558048
4-hexadecylpiperidine
CID 54096875
N,N-diethyl-4-[ethyl(piperidin-4-ylmethyl)amino]butanamide
CID 79717040

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(piperidin-4-ylmethyl)pentan-1-amine?
The IUPAC name of N-butyl-N-(piperidin-4-ylmethyl)pentan-1-amine (CID 94810456) is N-butyl-N-(piperidin-4-ylmethyl)pentan-1-amine.
What is the SMILES notation for N-butyl-N-(piperidin-4-ylmethyl)pentan-1-amine?
The canonical SMILES for N-butyl-N-(piperidin-4-ylmethyl)pentan-1-amine is CCCCCN(CCCC)CC1CCNCC1.
What is the InChIKey of N-butyl-N-(piperidin-4-ylmethyl)pentan-1-amine?
The InChIKey is SRAFFXKUQHVXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-3-5-7-13-17(12-6-4-2)14-15-8-10-16-11-9-15/h15-16H,3-14H2,1-2H3.
What are the key properties of N-butyl-N-(piperidin-4-ylmethyl)pentan-1-amine?
N-butyl-N-(piperidin-4-ylmethyl)pentan-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-butyl-N-(piperidin-4-ylmethyl)pentan-1-amine is sourced from PubChem (CID 94810456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).