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

C20H24Cl2N2 — CID 155518071

IUPACN-[(4-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine
SMILESClc1ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C20H24Cl2N2/c21-19-7-5-16(6-8-19)13-23-14-17-9-11-24(12-10-17)15-18-3-1-2-4-20(18)22/h1-8,17,23H,9-15H2
InChIKeyWCVYQXYTLUYPOK-UHFFFAOYSA-N
MW363.33 g/mol
LogP5.00
Rot. Bonds6

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

N-[(4-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine (PubChem CID 155518071) has the molecular formula C20H24Cl2N2 and a molecular weight of 363.33 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine
PubChem CID155518071
Molecular FormulaC20H24Cl2N2
Molecular Weight363.33 g/mol
Exact Mass362.13
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine
SMILESClc1ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C20H24Cl2N2/c21-19-7-5-16(6-8-19)13-23-14-17-9-11-24(12-10-17)15-18-3-1-2-4-20(18)22/h1-8,17,23H,9-15H2
InChIKeyWCVYQXYTLUYPOK-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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Related Compounds

N-[(3-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine
CID 155566844
N-(1,3-benzodioxol-5-ylmethyl)-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine
CID 155557524
1-[(2-chlorophenyl)methyl]-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45007673
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 55090709
2-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide;dihydrochloride
CID 119879595
(4-chlorophenyl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
CID 60561002
1-[[2-[(cyclopropylmethylamino)methyl]phenyl]methyl]piperidin-4-ol
CID 111778142
1-[(2-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 25246790
trans-(1S,3S)-3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 124699225
1-tert-butyl-3-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-methylguanidine
CID 111547181
3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 119879572
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]propan-2-ol
CID 172900561

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine (CID 155518071) is N-[(4-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine is Clc1ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine?
The InChIKey is WCVYQXYTLUYPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2/c21-19-7-5-16(6-8-19)13-23-14-17-9-11-24(12-10-17)15-18-3-1-2-4-20(18)22/h1-8,17,23H,9-15H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine?
N-[(4-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-[(4-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 155518071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).