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

C17H28N2 — CID 83993440

IUPACN-benzyl-5-butyl-1-methylpiperidin-3-amine
SMILESCCCCC1CC(NCc2ccccc2)CN(C)C1
InChIInChI=1S/C17H28N2/c1-3-4-8-16-11-17(14-19(2)13-16)18-12-15-9-6-5-7-10-15/h5-7,9-10,16-18H,3-4,8,11-14H2,1-2H3
InChIKeyMQAPXPUCZDMXDH-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.29
Rot. Bonds6

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

N-benzyl-5-butyl-1-methylpiperidin-3-amine (PubChem CID 83993440) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-benzyl-5-butyl-1-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-benzyl-5-butyl-1-methylpiperidin-3-amine
PubChem CID83993440
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-benzyl-5-butyl-1-methylpiperidin-3-amine
SMILESCCCCC1CC(NCc2ccccc2)CN(C)C1
InChIInChI=1S/C17H28N2/c1-3-4-8-16-11-17(14-19(2)13-16)18-12-15-9-6-5-7-10-15/h5-7,9-10,16-18H,3-4,8,11-14H2,1-2H3
InChIKeyMQAPXPUCZDMXDH-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-benzyl-5-butyl-1-(cyclopropylmethyl)piperidin-3-amine
CID 83993911
N-benzyl-5-butyl-1-(1-cyclopropylethyl)piperidin-3-amine
CID 83993929
2-[5-(benzylamino)-1-methylpiperidin-3-yl]-1-cyclopropylethanol
CID 83993466
N-benzyl-1-butyl-5-methylpiperidin-3-amine
CID 112541370
1-[3-(benzylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one
CID 83993717
1-[5-(benzylamino)-1-methylpiperidin-3-yl]ethanol
CID 83993461
3-(benzylamino)-5-propylpiperidine-1-carboxamide
CID 83993642
1-[3-(benzylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83993753
N-benzyl-1-butylpiperidin-3-amine
CID 83993554
1-[5-(benzylamino)-1-butylpiperidin-3-yl]propan-1-ol
CID 112541373
N-benzyl-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-amine
CID 83993485
3-[5-(benzylamino)-1-cyclobutylpiperidin-3-yl]propan-1-ol
CID 83993883

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-butyl-1-methylpiperidin-3-amine?
The IUPAC name of N-benzyl-5-butyl-1-methylpiperidin-3-amine (CID 83993440) is N-benzyl-5-butyl-1-methylpiperidin-3-amine.
What is the SMILES notation for N-benzyl-5-butyl-1-methylpiperidin-3-amine?
The canonical SMILES for N-benzyl-5-butyl-1-methylpiperidin-3-amine is CCCCC1CC(NCc2ccccc2)CN(C)C1.
What is the InChIKey of N-benzyl-5-butyl-1-methylpiperidin-3-amine?
The InChIKey is MQAPXPUCZDMXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-4-8-16-11-17(14-19(2)13-16)18-12-15-9-6-5-7-10-15/h5-7,9-10,16-18H,3-4,8,11-14H2,1-2H3.
What are the key properties of N-benzyl-5-butyl-1-methylpiperidin-3-amine?
N-benzyl-5-butyl-1-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-5-butyl-1-methylpiperidin-3-amine is sourced from PubChem (CID 83993440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).