2-[3-chloro-2-(cyclopropylmethoxy)phenyl]piperidine

C15H20ClNO — CID 117418878

IUPAC2-[3-chloro-2-(cyclopropylmethoxy)phenyl]piperidine
SMILESClc1cccc(C2CCCCN2)c1OCC1CC1
InChIInChI=1S/C15H20ClNO/c16-13-5-3-4-12(14-6-1-2-9-17-14)15(13)18-10-11-7-8-11/h3-5,11,14,17H,1-2,6-10H2
InChIKeyNZYIXWQMKVQBLO-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.94
Rot. Bonds4

About 2-[3-chloro-2-(cyclopropylmethoxy)phenyl]piperidine

2-[3-chloro-2-(cyclopropylmethoxy)phenyl]piperidine (PubChem CID 117418878) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 2-[3-chloro-2-(cyclopropylmethoxy)phenyl]piperidine.

Molecular Properties

Compound Name2-[3-chloro-2-(cyclopropylmethoxy)phenyl]piperidine
PubChem CID117418878
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name2-[3-chloro-2-(cyclopropylmethoxy)phenyl]piperidine
SMILESClc1cccc(C2CCCCN2)c1OCC1CC1
InChIInChI=1S/C15H20ClNO/c16-13-5-3-4-12(14-6-1-2-9-17-14)15(13)18-10-11-7-8-11/h3-5,11,14,17H,1-2,6-10H2
InChIKeyNZYIXWQMKVQBLO-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]piperidine
CID 117449166
2-[[3-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperidine
CID 117449038
2-(3-chloro-2-methylphenyl)piperidine
CID 83392215
2-[6-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]piperidine
CID 117476719
2-naphthalen-1-ylpiperidine
CID 4209523
(2S)-2-naphthalen-1-ylazepane
CID 7048283
2-[2-(cyclopropylmethoxy)-3,5-difluorophenyl]piperidine
CID 117421632
1-(bromomethyl)-3-chloro-2-(cyclopentylmethoxy)benzene
CID 112613746
(2R)-2-[(2,6-dichlorophenoxy)methyl]pyrrolidine
CID 102820117
2-chloro-3-piperidin-2-ylphenol
CID 130000735
2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518543
(2R)-2-(3-chloro-2-ethylphenyl)pyrrolidine
CID 130786361

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(cyclopropylmethoxy)phenyl]piperidine?
The IUPAC name of 2-[3-chloro-2-(cyclopropylmethoxy)phenyl]piperidine (CID 117418878) is 2-[3-chloro-2-(cyclopropylmethoxy)phenyl]piperidine.
What is the SMILES notation for 2-[3-chloro-2-(cyclopropylmethoxy)phenyl]piperidine?
The canonical SMILES for 2-[3-chloro-2-(cyclopropylmethoxy)phenyl]piperidine is Clc1cccc(C2CCCCN2)c1OCC1CC1.
What is the InChIKey of 2-[3-chloro-2-(cyclopropylmethoxy)phenyl]piperidine?
The InChIKey is NZYIXWQMKVQBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c16-13-5-3-4-12(14-6-1-2-9-17-14)15(13)18-10-11-7-8-11/h3-5,11,14,17H,1-2,6-10H2.
What are the key properties of 2-[3-chloro-2-(cyclopropylmethoxy)phenyl]piperidine?
2-[3-chloro-2-(cyclopropylmethoxy)phenyl]piperidine has a molecular weight of 265.78 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(cyclopropylmethoxy)phenyl]piperidine is sourced from PubChem (CID 117418878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).