N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine

C20H25ClN2 — CID 5112934

IUPACN-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
SMILESClc1cccc(CNC2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C20H25ClN2/c21-19-8-4-7-18(15-19)16-22-20-10-13-23(14-11-20)12-9-17-5-2-1-3-6-17/h1-8,15,20,22H,9-14,16H2
InChIKeyLAUXDMAZKBDZNL-UHFFFAOYSA-N
MW328.89 g/mol
LogP4.14
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine

N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine (PubChem CID 5112934) has the molecular formula C20H25ClN2 and a molecular weight of 328.89 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
PubChem CID5112934
Molecular FormulaC20H25ClN2
Molecular Weight328.89 g/mol
Exact Mass328.17
IUPAC NameN-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
SMILESClc1cccc(CNC2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C20H25ClN2/c21-19-8-4-7-18(15-19)16-22-20-10-13-23(14-11-20)12-9-17-5-2-1-3-6-17/h1-8,15,20,22H,9-14,16H2
InChIKeyLAUXDMAZKBDZNL-UHFFFAOYSA-N
XLogP4.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.89
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 30983457
N-[(3-chlorophenyl)methyl]-1-methylazepan-4-amine
CID 65070501
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
1-tert-butyl-N-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 54866694
tert-butyl N-[[3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]phenyl]methyl]carbamate
CID 53324839
1-(2-phenylethyl)-N-pyrrol-1-ylpiperidin-4-amine
CID 13306762
N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 119164826
3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pyridin-2-amine
CID 174350216
N-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
CID 61240464
N-[(3-chlorophenyl)methyl]-1-methylpiperidin-3-amine
CID 61210462
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
CID 65125309
2-methyl-1-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-2-ol
CID 63239768

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine (CID 5112934) is N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine is Clc1cccc(CNC2CCN(CCc3ccccc3)CC2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine?
The InChIKey is LAUXDMAZKBDZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2/c21-19-8-4-7-18(15-19)16-22-20-10-13-23(14-11-20)12-9-17-5-2-1-3-6-17/h1-8,15,20,22H,9-14,16H2.
What are the key properties of N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine?
N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine has a molecular weight of 328.89 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 5112934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).