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

C16H23ClN2 — CID 62579866

IUPACN-[[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine
SMILESClc1ccccc1CN1CCCCC1CNC1CC1
InChIInChI=1S/C16H23ClN2/c17-16-7-2-1-5-13(16)12-19-10-4-3-6-15(19)11-18-14-8-9-14/h1-2,5,7,14-15,18H,3-4,6,8-12H2
InChIKeyKNZCWRRHUDMJTK-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.45
Rot. Bonds5

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

N-[[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine (PubChem CID 62579866) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is N-[[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine
PubChem CID62579866
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC NameN-[[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine
SMILESClc1ccccc1CN1CCCCC1CNC1CC1
InChIInChI=1S/C16H23ClN2/c17-16-7-2-1-5-13(16)12-19-10-4-3-6-15(19)11-18-14-8-9-14/h1-2,5,7,14-15,18H,3-4,6,8-12H2
InChIKeyKNZCWRRHUDMJTK-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine
CID 107306708
N-[[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 65317442
1-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119928352
[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 43187060
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 55090709
N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62579502
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62581996
N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine
CID 62580232
N-[[2-[(2-chlorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 81023868
1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 65318364
N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine
CID 63249109
N-[[1-(3-phenoxypropyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62937477

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine (CID 62579866) is N-[[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine is Clc1ccccc1CN1CCCCC1CNC1CC1.
What is the InChIKey of N-[[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine?
The InChIKey is KNZCWRRHUDMJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c17-16-7-2-1-5-13(16)12-19-10-4-3-6-15(19)11-18-14-8-9-14/h1-2,5,7,14-15,18H,3-4,6,8-12H2.
What are the key properties of N-[[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine?
N-[[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine has a molecular weight of 278.83 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62579866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).