1-[(4-chlorophenyl)methyl]-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]piperidin-4-amine

C23H29ClN2O — CID 167935798

IUPAC1-[(4-chlorophenyl)methyl]-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]piperidin-4-amine
SMILESClc1ccc(CN2CCC(NC[C@@H]3CCO[C@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C23H29ClN2O/c24-21-8-6-18(7-9-21)17-26-13-10-22(11-14-26)25-16-20-12-15-27-23(20)19-4-2-1-3-5-19/h1-9,20,22-23,25H,10-17H2/t20-,23-/m0/s1
InChIKeyAEVGNXJERZJIIG-REWPJTCUSA-N
MW384.95 g/mol
LogP4.67
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]piperidin-4-amine

1-[(4-chlorophenyl)methyl]-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]piperidin-4-amine (PubChem CID 167935798) has the molecular formula C23H29ClN2O and a molecular weight of 384.95 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]piperidin-4-amine
PubChem CID167935798
Molecular FormulaC23H29ClN2O
Molecular Weight384.95 g/mol
Exact Mass384.20
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]piperidin-4-amine
SMILESClc1ccc(CN2CCC(NC[C@@H]3CCO[C@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C23H29ClN2O/c24-21-8-6-18(7-9-21)17-26-13-10-22(11-14-26)25-16-20-12-15-27-23(20)19-4-2-1-3-5-19/h1-9,20,22-23,25H,10-17H2/t20-,23-/m0/s1
InChIKeyAEVGNXJERZJIIG-REWPJTCUSA-N
XLogP4.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]piperidin-4-amine (CID 167935798) is 1-[(4-chlorophenyl)methyl]-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]piperidin-4-amine is Clc1ccc(CN2CCC(NC[C@@H]3CCO[C@H]3c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]piperidin-4-amine?
The InChIKey is AEVGNXJERZJIIG-REWPJTCUSA-N. The full InChI is InChI=1S/C23H29ClN2O/c24-21-8-6-18(7-9-21)17-26-13-10-22(11-14-26)25-16-20-12-15-27-23(20)19-4-2-1-3-5-19/h1-9,20,22-23,25H,10-17H2/t20-,23-/m0/s1.
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]piperidin-4-amine?
1-[(4-chlorophenyl)methyl]-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]piperidin-4-amine has a molecular weight of 384.95 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 167935798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).