1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine

C15H21ClN2 — CID 117416322

IUPAC1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine
SMILESNC1(c2ccc(CN3CCCCC3)c(Cl)c2)CC1
InChIInChI=1S/C15H21ClN2/c16-14-10-13(15(17)6-7-15)5-4-12(14)11-18-8-2-1-3-9-18/h4-5,10H,1-3,6-9,11,17H2
InChIKeyHDHJYGKTOQTBAY-UHFFFAOYSA-N
MW264.80 g/mol
LogP3.27
Rot. Bonds3

About 1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine

1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine (PubChem CID 117416322) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine
PubChem CID117416322
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine
SMILESNC1(c2ccc(CN3CCCCC3)c(Cl)c2)CC1
InChIInChI=1S/C15H21ClN2/c16-14-10-13(15(17)6-7-15)5-4-12(14)11-18-8-2-1-3-9-18/h4-5,10H,1-3,6-9,11,17H2
InChIKeyHDHJYGKTOQTBAY-UHFFFAOYSA-N
XLogP3.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-ol
CID 117418914
1-[4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine
CID 84793947
4-(azepan-1-ylmethyl)-3-chloroaniline
CID 28721850
1-[3-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine
CID 84793946
1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclohexan-1-amine
CID 117447117
1-[(2,4-dichlorophenyl)methyl]azetidine
CID 127007358
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
1-[[3-chloro-4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropan-1-amine
CID 117450919
1-(3,4-dichlorophenyl)cycloheptan-1-amine
CID 43164287
4-(azocan-1-ylmethyl)-3-chloro-N'-hydroxybenzenecarboximidamide
CID 102666797
N-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]hydroxylamine
CID 143565225
4-[[2-chloro-4-(1-isocyanatocyclopropyl)phenyl]methyl]morpholine
CID 117472704

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine (CID 117416322) is 1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine is NC1(c2ccc(CN3CCCCC3)c(Cl)c2)CC1.
What is the InChIKey of 1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine?
The InChIKey is HDHJYGKTOQTBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c16-14-10-13(15(17)6-7-15)5-4-12(14)11-18-8-2-1-3-9-18/h4-5,10H,1-3,6-9,11,17H2.
What are the key properties of 1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine?
1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine has a molecular weight of 264.80 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 117416322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).