N-[[1-[(3-chlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine

C16H23ClN2 — CID 62582064

IUPACN-[[1-[(3-chlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
SMILESClc1cccc(CN2CCCC(CNC3CC3)C2)c1
InChIInChI=1S/C16H23ClN2/c17-15-5-1-3-13(9-15)11-19-8-2-4-14(12-19)10-18-16-6-7-16/h1,3,5,9,14,16,18H,2,4,6-8,10-12H2
InChIKeyNNZYGAUMMWCFGL-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.30
Rot. Bonds5

About N-[[1-[(3-chlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine

N-[[1-[(3-chlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine (PubChem CID 62582064) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is N-[[1-[(3-chlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(3-chlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
PubChem CID62582064
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC NameN-[[1-[(3-chlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
SMILESClc1cccc(CN2CCCC(CNC3CC3)C2)c1
InChIInChI=1S/C16H23ClN2/c17-15-5-1-3-13(9-15)11-19-8-2-4-14(12-19)10-18-16-6-7-16/h1,3,5,9,14,16,18H,2,4,6-8,10-12H2
InChIKeyNNZYGAUMMWCFGL-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chlorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-3-amine
CID 83996341
N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62582239
N-[[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 103038269
[(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol
CID 40514299
N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62582065
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 62582223
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]thian-4-amine
CID 95143520
N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62580078
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine
CID 43298230
N-[[1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54794583
N-[(1-benzylpyrrolidin-3-yl)methyl]oxan-4-amine
CID 50961692

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-chlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(3-chlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine (CID 62582064) is N-[[1-[(3-chlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(3-chlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(3-chlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine is Clc1cccc(CN2CCCC(CNC3CC3)C2)c1.
What is the InChIKey of N-[[1-[(3-chlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine?
The InChIKey is NNZYGAUMMWCFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c17-15-5-1-3-13(9-15)11-19-8-2-4-14(12-19)10-18-16-6-7-16/h1,3,5,9,14,16,18H,2,4,6-8,10-12H2.
What are the key properties of N-[[1-[(3-chlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine?
N-[[1-[(3-chlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine has a molecular weight of 278.83 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-chlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62582064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).