N-[(2-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine

C20H24Cl2N2 — CID 155547373

IUPACN-[(2-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine
SMILESClc1ccccc1CNCC1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C20H24Cl2N2/c21-19-7-3-1-5-17(19)14-23-13-16-9-11-24(12-10-16)15-18-6-2-4-8-20(18)22/h1-8,16,23H,9-15H2
InChIKeyAUTBDSWOWXDCPN-UHFFFAOYSA-N
MW363.33 g/mol
LogP5.00
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine

N-[(2-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine (PubChem CID 155547373) has the molecular formula C20H24Cl2N2 and a molecular weight of 363.33 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine
PubChem CID155547373
Molecular FormulaC20H24Cl2N2
Molecular Weight363.33 g/mol
Exact Mass362.13
IUPAC NameN-[(2-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine
SMILESClc1ccccc1CNCC1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C20H24Cl2N2/c21-19-7-3-1-5-17(19)14-23-13-16-9-11-24(12-10-16)15-18-6-2-4-8-20(18)22/h1-8,16,23H,9-15H2
InChIKeyAUTBDSWOWXDCPN-UHFFFAOYSA-N
XLogP5.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine (CID 155547373) is N-[(2-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine is Clc1ccccc1CNCC1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine?
The InChIKey is AUTBDSWOWXDCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2/c21-19-7-3-1-5-17(19)14-23-13-16-9-11-24(12-10-16)15-18-6-2-4-8-20(18)22/h1-8,16,23H,9-15H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine?
N-[(2-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine has a molecular weight of 363.33 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 155547373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).