(3R,4S)-3-benzyl-N-phenylpiperidin-4-amine

C18H22N2 — CID 110129635

IUPAC(3R,4S)-3-benzyl-N-phenylpiperidin-4-amine
SMILESc1ccc(C[C@@H]2CNCC[C@@H]2Nc2ccccc2)cc1
InChIInChI=1S/C18H22N2/c1-3-7-15(8-4-1)13-16-14-19-12-11-18(16)20-17-9-5-2-6-10-17/h1-10,16,18-20H,11-14H2/t16-,18+/m1/s1
InChIKeyRVROUZJVWQDDKB-AEFFLSMTSA-N
MW266.39 g/mol
LogP3.32
Rot. Bonds4

About (3R,4S)-3-benzyl-N-phenylpiperidin-4-amine

(3R,4S)-3-benzyl-N-phenylpiperidin-4-amine (PubChem CID 110129635) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is (3R,4S)-3-benzyl-N-phenylpiperidin-4-amine.

Molecular Properties

Compound Name(3R,4S)-3-benzyl-N-phenylpiperidin-4-amine
PubChem CID110129635
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name(3R,4S)-3-benzyl-N-phenylpiperidin-4-amine
SMILESc1ccc(C[C@@H]2CNCC[C@@H]2Nc2ccccc2)cc1
InChIInChI=1S/C18H22N2/c1-3-7-15(8-4-1)13-16-14-19-12-11-18(16)20-17-9-5-2-6-10-17/h1-10,16,18-20H,11-14H2/t16-,18+/m1/s1
InChIKeyRVROUZJVWQDDKB-AEFFLSMTSA-N
XLogP3.32
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-benzyl-N-phenylpiperidin-4-amine?
The IUPAC name of (3R,4S)-3-benzyl-N-phenylpiperidin-4-amine (CID 110129635) is (3R,4S)-3-benzyl-N-phenylpiperidin-4-amine.
What is the SMILES notation for (3R,4S)-3-benzyl-N-phenylpiperidin-4-amine?
The canonical SMILES for (3R,4S)-3-benzyl-N-phenylpiperidin-4-amine is c1ccc(C[C@@H]2CNCC[C@@H]2Nc2ccccc2)cc1.
What is the InChIKey of (3R,4S)-3-benzyl-N-phenylpiperidin-4-amine?
The InChIKey is RVROUZJVWQDDKB-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H22N2/c1-3-7-15(8-4-1)13-16-14-19-12-11-18(16)20-17-9-5-2-6-10-17/h1-10,16,18-20H,11-14H2/t16-,18+/m1/s1.
What are the key properties of (3R,4S)-3-benzyl-N-phenylpiperidin-4-amine?
(3R,4S)-3-benzyl-N-phenylpiperidin-4-amine has a molecular weight of 266.39 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-benzyl-N-phenylpiperidin-4-amine is sourced from PubChem (CID 110129635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).