N-[(4-chlorophenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride

C16H24Cl2N2 — CID 119930119

IUPACN-[(4-chlorophenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride
SMILESCl.Clc1ccc(CN(CC2CCCNC2)C2CC2)cc1
InChIInChI=1S/C16H23ClN2.ClH/c17-15-5-3-13(4-6-15)11-19(16-7-8-16)12-14-2-1-9-18-10-14;/h3-6,14,16,18H,1-2,7-12H2;1H
InChIKeyKJWKVGWRKPOFLB-UHFFFAOYSA-N
MW315.29 g/mol
LogP3.73
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride

N-[(4-chlorophenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride (PubChem CID 119930119) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride
PubChem CID119930119
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC NameN-[(4-chlorophenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride
SMILESCl.Clc1ccc(CN(CC2CCCNC2)C2CC2)cc1
InChIInChI=1S/C16H23ClN2.ClH/c17-15-5-3-13(4-6-15)11-19(16-7-8-16)12-14-2-1-9-18-10-14;/h3-6,14,16,18H,1-2,7-12H2;1H
InChIKeyKJWKVGWRKPOFLB-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine
CID 96555707
N-[[4-(difluoromethyl)phenyl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624895
N-[(3-chloro-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106625030
N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624936
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-piperidin-3-ylacetamide
CID 62676328
N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine
CID 96555702
N-[(3-chloro-4-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106640251
N-[(2-chloro-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106865765
N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624874
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride
CID 119929823
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623709
N-(1H-imidazol-5-ylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639662

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride (CID 119930119) is N-[(4-chlorophenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride is Cl.Clc1ccc(CN(CC2CCCNC2)C2CC2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride?
The InChIKey is KJWKVGWRKPOFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2.ClH/c17-15-5-3-13(4-6-15)11-19(16-7-8-16)12-14-2-1-9-18-10-14;/h3-6,14,16,18H,1-2,7-12H2;1H.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride?
N-[(4-chlorophenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride has a molecular weight of 315.29 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride is sourced from PubChem (CID 119930119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).