N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine

C16H22Cl2N2 — CID 62582065

IUPACN-[[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
SMILESClc1ccc(CN2CCCC(CNC3CC3)C2)c(Cl)c1
InChIInChI=1S/C16H22Cl2N2/c17-14-4-3-13(16(18)8-14)11-20-7-1-2-12(10-20)9-19-15-5-6-15/h3-4,8,12,15,19H,1-2,5-7,9-11H2
InChIKeyCCEWFKBPWNGGJC-UHFFFAOYSA-N
MW313.27 g/mol
LogP3.96
Rot. Bonds5

About N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine

N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine (PubChem CID 62582065) has the molecular formula C16H22Cl2N2 and a molecular weight of 313.27 g/mol. Its IUPAC name is N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
PubChem CID62582065
Molecular FormulaC16H22Cl2N2
Molecular Weight313.27 g/mol
Exact Mass312.12
IUPAC NameN-[[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
SMILESClc1ccc(CN2CCCC(CNC3CC3)C2)c(Cl)c1
InChIInChI=1S/C16H22Cl2N2/c17-14-4-3-13(16(18)8-14)11-20-7-1-2-12(10-20)9-19-15-5-6-15/h3-4,8,12,15,19H,1-2,5-7,9-11H2
InChIKeyCCEWFKBPWNGGJC-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 103038269
N-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62580437
N-[[1-[(3-chlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62582064
N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62582239
(3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpiperidine
CID 144850667
N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43921942
[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]methanamine
CID 65318797
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 62582223
(9aS)-2-[(2,4-dichlorophenyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 124738071
N-[[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 114849863
1-[(2,4-dichlorophenyl)methyl]azetidine
CID 127007358
3-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]piperidine
CID 65318449

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine (CID 62582065) is N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine is Clc1ccc(CN2CCCC(CNC3CC3)C2)c(Cl)c1.
What is the InChIKey of N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine?
The InChIKey is CCEWFKBPWNGGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2/c17-14-4-3-13(16(18)8-14)11-20-7-1-2-12(10-20)9-19-15-5-6-15/h3-4,8,12,15,19H,1-2,5-7,9-11H2.
What are the key properties of N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine?
N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine has a molecular weight of 313.27 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62582065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).