(2S,4S)-N-benzyl-1-methyl-N-phenyl-2-propan-2-ylpiperidin-4-amine

C22H30N2 — CID 101230491

IUPAC(2S,4S)-N-benzyl-1-methyl-N-phenyl-2-propan-2-ylpiperidin-4-amine
SMILESCC(C)[C@@H]1C[C@@H](N(Cc2ccccc2)c2ccccc2)CCN1C
InChIInChI=1S/C22H30N2/c1-18(2)22-16-21(14-15-23(22)3)24(20-12-8-5-9-13-20)17-19-10-6-4-7-11-19/h4-13,18,21-22H,14-17H2,1-3H3/t21-,22-/m0/s1
InChIKeyMJZAEYRJXFRWHY-VXKWHMMOSA-N
MW322.50 g/mol
LogP4.81
Rot. Bonds5

About (2S,4S)-N-benzyl-1-methyl-N-phenyl-2-propan-2-ylpiperidin-4-amine

(2S,4S)-N-benzyl-1-methyl-N-phenyl-2-propan-2-ylpiperidin-4-amine (PubChem CID 101230491) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is (2S,4S)-N-benzyl-1-methyl-N-phenyl-2-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name(2S,4S)-N-benzyl-1-methyl-N-phenyl-2-propan-2-ylpiperidin-4-amine
PubChem CID101230491
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC Name(2S,4S)-N-benzyl-1-methyl-N-phenyl-2-propan-2-ylpiperidin-4-amine
SMILESCC(C)[C@@H]1C[C@@H](N(Cc2ccccc2)c2ccccc2)CCN1C
InChIInChI=1S/C22H30N2/c1-18(2)22-16-21(14-15-23(22)3)24(20-12-8-5-9-13-20)17-19-10-6-4-7-11-19/h4-13,18,21-22H,14-17H2,1-3H3/t21-,22-/m0/s1
InChIKeyMJZAEYRJXFRWHY-VXKWHMMOSA-N
XLogP4.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-benzyl-1-methyl-N-phenyl-2-propan-2-ylpiperidin-4-amine?
The IUPAC name of (2S,4S)-N-benzyl-1-methyl-N-phenyl-2-propan-2-ylpiperidin-4-amine (CID 101230491) is (2S,4S)-N-benzyl-1-methyl-N-phenyl-2-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for (2S,4S)-N-benzyl-1-methyl-N-phenyl-2-propan-2-ylpiperidin-4-amine?
The canonical SMILES for (2S,4S)-N-benzyl-1-methyl-N-phenyl-2-propan-2-ylpiperidin-4-amine is CC(C)[C@@H]1C[C@@H](N(Cc2ccccc2)c2ccccc2)CCN1C.
What is the InChIKey of (2S,4S)-N-benzyl-1-methyl-N-phenyl-2-propan-2-ylpiperidin-4-amine?
The InChIKey is MJZAEYRJXFRWHY-VXKWHMMOSA-N. The full InChI is InChI=1S/C22H30N2/c1-18(2)22-16-21(14-15-23(22)3)24(20-12-8-5-9-13-20)17-19-10-6-4-7-11-19/h4-13,18,21-22H,14-17H2,1-3H3/t21-,22-/m0/s1.
What are the key properties of (2S,4S)-N-benzyl-1-methyl-N-phenyl-2-propan-2-ylpiperidin-4-amine?
(2S,4S)-N-benzyl-1-methyl-N-phenyl-2-propan-2-ylpiperidin-4-amine has a molecular weight of 322.50 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-benzyl-1-methyl-N-phenyl-2-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 101230491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).