N-benzyl-1-butyl-5-methylpiperidin-3-amine

C17H28N2 — CID 112541370

IUPACN-benzyl-1-butyl-5-methylpiperidin-3-amine
SMILESCCCCN1CC(C)CC(NCc2ccccc2)C1
InChIInChI=1S/C17H28N2/c1-3-4-10-19-13-15(2)11-17(14-19)18-12-16-8-6-5-7-9-16/h5-9,15,17-18H,3-4,10-14H2,1-2H3
InChIKeyOPLOJUQIUSLSIP-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.29
Rot. Bonds6

About N-benzyl-1-butyl-5-methylpiperidin-3-amine

N-benzyl-1-butyl-5-methylpiperidin-3-amine (PubChem CID 112541370) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-benzyl-1-butyl-5-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-benzyl-1-butyl-5-methylpiperidin-3-amine
PubChem CID112541370
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-benzyl-1-butyl-5-methylpiperidin-3-amine
SMILESCCCCN1CC(C)CC(NCc2ccccc2)C1
InChIInChI=1S/C17H28N2/c1-3-4-10-19-13-15(2)11-17(14-19)18-12-16-8-6-5-7-9-16/h5-9,15,17-18H,3-4,10-14H2,1-2H3
InChIKeyOPLOJUQIUSLSIP-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,1-dibenzyl-5-methylpiperidin-3-amine
CID 83993568
1-[5-(benzylamino)-1-butylpiperidin-3-yl]propan-1-ol
CID 112541373
N-benzyl-1-butylpiperidin-3-amine
CID 83993554
methyl 3-[3-(benzylamino)-5-methylpiperidin-1-yl]propanoate
CID 83993992
N-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine
CID 83993582
1-butyl-N,5-dimethylpiperidin-3-amine
CID 112541244
N-benzyl-5-butyl-1-methylpiperidin-3-amine
CID 83993440
N-benzyl-5-butyl-1-(cyclopropylmethyl)piperidin-3-amine
CID 83993911
methyl 2-[5-(benzylamino)-1-propylpiperidin-3-yl]acetate
CID 83993524
N-benzyl-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-amine
CID 83993485
3-methyl-N-[(4-phenylphenyl)methyl]cyclopentan-1-amine
CID 114543884
(5R)-3,5-dimethyl-1-[3-(3-phenylpropoxy)propyl]piperidine
CID 58747936

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-butyl-5-methylpiperidin-3-amine?
The IUPAC name of N-benzyl-1-butyl-5-methylpiperidin-3-amine (CID 112541370) is N-benzyl-1-butyl-5-methylpiperidin-3-amine.
What is the SMILES notation for N-benzyl-1-butyl-5-methylpiperidin-3-amine?
The canonical SMILES for N-benzyl-1-butyl-5-methylpiperidin-3-amine is CCCCN1CC(C)CC(NCc2ccccc2)C1.
What is the InChIKey of N-benzyl-1-butyl-5-methylpiperidin-3-amine?
The InChIKey is OPLOJUQIUSLSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-4-10-19-13-15(2)11-17(14-19)18-12-16-8-6-5-7-9-16/h5-9,15,17-18H,3-4,10-14H2,1-2H3.
What are the key properties of N-benzyl-1-butyl-5-methylpiperidin-3-amine?
N-benzyl-1-butyl-5-methylpiperidin-3-amine has a molecular weight of 260.43 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-butyl-5-methylpiperidin-3-amine is sourced from PubChem (CID 112541370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).