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

C16H23ClN2 — CID 55090709

IUPACN-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
SMILESClc1ccccc1CN1CCC(CNC2CC2)CC1
InChIInChI=1S/C16H23ClN2/c17-16-4-2-1-3-14(16)12-19-9-7-13(8-10-19)11-18-15-5-6-15/h1-4,13,15,18H,5-12H2
InChIKeySVJNOZQKHMGDGC-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.30
Rot. Bonds5

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

N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine (PubChem CID 55090709) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
PubChem CID55090709
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC NameN-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
SMILESClc1ccccc1CN1CCC(CNC2CC2)CC1
InChIInChI=1S/C16H23ClN2/c17-16-4-2-1-3-14(16)12-19-9-7-13(8-10-19)11-18-15-5-6-15/h1-4,13,15,18H,5-12H2
InChIKeySVJNOZQKHMGDGC-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

N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62591510
N-[[1-[(2-nitrophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 63847912
N-[(4-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine
CID 155518071
2-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide;dihydrochloride
CID 119879595
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62512068
N-[[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine
CID 62579866
N-[(3-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine
CID 155566844
1-[(2-chlorothiophen-3-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
CID 120841434
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971109
1-[(2-chlorophenyl)methyl]-N-cyclopropylpyrrolidine-3-carboxamide
CID 166602716
3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 119879572
1-tert-butyl-3-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-methylguanidine
CID 111547181

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine (CID 55090709) is N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine is Clc1ccccc1CN1CCC(CNC2CC2)CC1.
What is the InChIKey of N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine?
The InChIKey is SVJNOZQKHMGDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c17-16-4-2-1-3-14(16)12-19-9-7-13(8-10-19)11-18-15-5-6-15/h1-4,13,15,18H,5-12H2.
What are the key properties of N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine?
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-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-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55090709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).