N-(cyclohexylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine

C19H28Cl2N2 — CID 58624330

IUPACN-(cyclohexylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine
SMILESClc1ccc(CN(CC2CCCCC2)C2CCNCC2)cc1Cl
InChIInChI=1S/C19H28Cl2N2/c20-18-7-6-16(12-19(18)21)14-23(17-8-10-22-11-9-17)13-15-4-2-1-3-5-15/h6-7,12,15,17,22H,1-5,8-11,13-14H2
InChIKeyGIOXRKUAHMZOKG-UHFFFAOYSA-N
MW355.35 g/mol
LogP5.13
Rot. Bonds5

About N-(cyclohexylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine

N-(cyclohexylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine (PubChem CID 58624330) has the molecular formula C19H28Cl2N2 and a molecular weight of 355.35 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine
PubChem CID58624330
Molecular FormulaC19H28Cl2N2
Molecular Weight355.35 g/mol
Exact Mass354.16
IUPAC NameN-(cyclohexylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine
SMILESClc1ccc(CN(CC2CCCCC2)C2CCNCC2)cc1Cl
InChIInChI=1S/C19H28Cl2N2/c20-18-7-6-16(12-19(18)21)14-23(17-8-10-22-11-9-17)13-15-4-2-1-3-5-15/h6-7,12,15,17,22H,1-5,8-11,13-14H2
InChIKeyGIOXRKUAHMZOKG-UHFFFAOYSA-N
XLogP5.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.35
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine
CID 58624329
N-[(3,4-dichlorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 54923832
N-[(3,4-dichlorophenyl)methyl]-N-propylpiperidin-4-amine
CID 60806819
N-(azetidin-3-ylmethyl)-N-[(3-chloro-4-fluorophenyl)methyl]cyclohexanamine
CID 142725296
N-[(3,4-dichlorophenyl)methyl]-N-(4-methylphenyl)piperidin-4-amine
CID 23137586
[4-[[cyclohexylmethyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934345
N-(naphthalen-2-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 119930115
N-[(3-chloro-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106625030
4-[(3,4-dichlorophenyl)methyl]azepane
CID 83261164
N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79715016
N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 69062995
N-[(3-chloro-4-methylphenyl)methyl]-N-ethylazepan-4-amine;hydrochloride
CID 120844817

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine?
The IUPAC name of N-(cyclohexylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine (CID 58624330) is N-(cyclohexylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-(cyclohexylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine is Clc1ccc(CN(CC2CCCCC2)C2CCNCC2)cc1Cl.
What is the InChIKey of N-(cyclohexylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine?
The InChIKey is GIOXRKUAHMZOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28Cl2N2/c20-18-7-6-16(12-19(18)21)14-23(17-8-10-22-11-9-17)13-15-4-2-1-3-5-15/h6-7,12,15,17,22H,1-5,8-11,13-14H2.
What are the key properties of N-(cyclohexylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine?
N-(cyclohexylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine has a molecular weight of 355.35 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 58624330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).