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

C15H20ClNO — CID 117418914

IUPAC1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-ol
SMILESOC1(c2ccc(CN3CCCCC3)c(Cl)c2)CC1
InChIInChI=1S/C15H20ClNO/c16-14-10-13(15(18)6-7-15)5-4-12(14)11-17-8-2-1-3-9-17/h4-5,10,18H,1-3,6-9,11H2
InChIKeyUWOSIFZIJRHIIR-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.31
Rot. Bonds3

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

1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-ol (PubChem CID 117418914) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-ol
PubChem CID117418914
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-ol
SMILESOC1(c2ccc(CN3CCCCC3)c(Cl)c2)CC1
InChIInChI=1S/C15H20ClNO/c16-14-10-13(15(18)6-7-15)5-4-12(14)11-17-8-2-1-3-9-17/h4-5,10,18H,1-3,6-9,11H2
InChIKeyUWOSIFZIJRHIIR-UHFFFAOYSA-N
XLogP3.31
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine
CID 117416322
3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]-N-cyclopropyl-3-hydroxy-N-methylcyclobutane-1-carboxamide
CID 69249359
4-(azepan-1-ylmethyl)-3-chloroaniline
CID 28721850
N-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]hydroxylamine
CID 143565225
1-[(2,4-dichlorophenyl)methyl]azetidine
CID 127007358
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
4-(azocan-1-ylmethyl)-3-chloro-N'-hydroxybenzenecarboximidamide
CID 102666797
1-(3-chloro-4-methylphenyl)cyclopropan-1-ol
CID 63195490
2-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoacetic acid
CID 117422866
1-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]propan-2-one
CID 117382848
1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpiperidin-4-ol
CID 115695637
2-amino-3-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]propanoic acid
CID 117478260

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-ol (CID 117418914) is 1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-ol is OC1(c2ccc(CN3CCCCC3)c(Cl)c2)CC1.
What is the InChIKey of 1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-ol?
The InChIKey is UWOSIFZIJRHIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c16-14-10-13(15(18)6-7-15)5-4-12(14)11-17-8-2-1-3-9-17/h4-5,10,18H,1-3,6-9,11H2.
What are the key properties of 1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-ol?
1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-ol has a molecular weight of 265.78 g/mol, XLogP of 3.31, 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-ol is sourced from PubChem (CID 117418914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).