2-[6-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]piperidine

C16H22ClNO2 — CID 117476719

IUPAC2-[6-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]piperidine
SMILESCOc1ccc(Cl)c(C2CCCCN2)c1OCC1CC1
InChIInChI=1S/C16H22ClNO2/c1-19-14-8-7-12(17)15(13-4-2-3-9-18-13)16(14)20-10-11-5-6-11/h7-8,11,13,18H,2-6,9-10H2,1H3
InChIKeyIDQGKGCIOVHRDO-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.95
Rot. Bonds5

About 2-[6-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]piperidine

2-[6-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]piperidine (PubChem CID 117476719) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-[6-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]piperidine.

Molecular Properties

Compound Name2-[6-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]piperidine
PubChem CID117476719
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-[6-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]piperidine
SMILESCOc1ccc(Cl)c(C2CCCCN2)c1OCC1CC1
InChIInChI=1S/C16H22ClNO2/c1-19-14-8-7-12(17)15(13-4-2-3-9-18-13)16(14)20-10-11-5-6-11/h7-8,11,13,18H,2-6,9-10H2,1H3
InChIKeyIDQGKGCIOVHRDO-UHFFFAOYSA-N
XLogP3.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]pyrrolidine
CID 117452488
6-chloro-3-methoxy-2-[(2R)-piperidin-2-yl]phenol
CID 131252293
2-(2-chloro-3,6-dimethoxyphenyl)piperidine
CID 117392632
2-[3-chloro-2-(cyclopropylmethoxy)phenyl]piperidine
CID 117418878
2-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]piperidine
CID 117449166
2-(6-bromo-2,3-dimethoxyphenyl)piperidine
CID 117483535
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]pyrrolidine
CID 117371452
(2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine
CID 66519603
2-(2,3-dichloro-4-methoxyphenyl)piperidine
CID 116962306
(2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride
CID 171195335
2-(2,3,4-trimethoxyphenyl)azepane
CID 62543922
2-[6-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]-2-oxoacetic acid
CID 117458185

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]piperidine?
The IUPAC name of 2-[6-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]piperidine (CID 117476719) is 2-[6-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]piperidine.
What is the SMILES notation for 2-[6-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]piperidine?
The canonical SMILES for 2-[6-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]piperidine is COc1ccc(Cl)c(C2CCCCN2)c1OCC1CC1.
What is the InChIKey of 2-[6-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]piperidine?
The InChIKey is IDQGKGCIOVHRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-19-14-8-7-12(17)15(13-4-2-3-9-18-13)16(14)20-10-11-5-6-11/h7-8,11,13,18H,2-6,9-10H2,1H3.
What are the key properties of 2-[6-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]piperidine?
2-[6-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]piperidine has a molecular weight of 295.81 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]piperidine is sourced from PubChem (CID 117476719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).