(3R,4R)-3-benzyl-1-propylpiperidin-4-amine

C15H24N2 — CID 124748447

IUPAC(3R,4R)-3-benzyl-1-propylpiperidin-4-amine
SMILESCCCN1CC[C@@H](N)[C@H](Cc2ccccc2)C1
InChIInChI=1S/C15H24N2/c1-2-9-17-10-8-15(16)14(12-17)11-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12,16H2,1H3/t14-,15-/m1/s1
InChIKeyXUDDQMRVXJSXHV-HUUCEWRRSA-N
MW232.37 g/mol
LogP2.29
Rot. Bonds4

About (3R,4R)-3-benzyl-1-propylpiperidin-4-amine

(3R,4R)-3-benzyl-1-propylpiperidin-4-amine (PubChem CID 124748447) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (3R,4R)-3-benzyl-1-propylpiperidin-4-amine.

Molecular Properties

Compound Name(3R,4R)-3-benzyl-1-propylpiperidin-4-amine
PubChem CID124748447
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(3R,4R)-3-benzyl-1-propylpiperidin-4-amine
SMILESCCCN1CC[C@@H](N)[C@H](Cc2ccccc2)C1
InChIInChI=1S/C15H24N2/c1-2-9-17-10-8-15(16)14(12-17)11-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12,16H2,1H3/t14-,15-/m1/s1
InChIKeyXUDDQMRVXJSXHV-HUUCEWRRSA-N
XLogP2.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-phenylmethanamine;1-propylpiperidin-4-amine
CID 18001643
3-benzyl-1-octylpyrrolidine
CID 58576677
2-[(4-hydroxy-1-propylpiperidin-3-yl)methyl]benzoic acid
CID 110539552
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
1-methyl-3-[(4-methylphenyl)methyl]piperidin-4-amine
CID 82393171
1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol
CID 110538160
1-(2-phenylethyl)pyrrolidin-3-amine
CID 18411819
1-[2-(4-amino-3-ethylpiperidin-1-yl)ethyl]pyridin-2-one
CID 82907183
2-(4-amino-3-ethylpiperidin-1-yl)-N-benzyl-N-methylacetamide
CID 81452559
3-[(3,4-dichlorophenyl)methyl]-1-propylpiperidin-4-ol
CID 110538491
3-phenyl-1-propylpiperidine
CID 12937946
3-benzyl-1,4-dimethylpiperidine
CID 68972702

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-benzyl-1-propylpiperidin-4-amine?
The IUPAC name of (3R,4R)-3-benzyl-1-propylpiperidin-4-amine (CID 124748447) is (3R,4R)-3-benzyl-1-propylpiperidin-4-amine.
What is the SMILES notation for (3R,4R)-3-benzyl-1-propylpiperidin-4-amine?
The canonical SMILES for (3R,4R)-3-benzyl-1-propylpiperidin-4-amine is CCCN1CC[C@@H](N)[C@H](Cc2ccccc2)C1.
What is the InChIKey of (3R,4R)-3-benzyl-1-propylpiperidin-4-amine?
The InChIKey is XUDDQMRVXJSXHV-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H24N2/c1-2-9-17-10-8-15(16)14(12-17)11-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12,16H2,1H3/t14-,15-/m1/s1.
What are the key properties of (3R,4R)-3-benzyl-1-propylpiperidin-4-amine?
(3R,4R)-3-benzyl-1-propylpiperidin-4-amine has a molecular weight of 232.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-benzyl-1-propylpiperidin-4-amine is sourced from PubChem (CID 124748447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).