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

C16H22ClNO — CID 117449038

IUPAC2-[[3-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperidine
SMILESClc1cccc(CC2CCCCN2)c1OCC1CC1
InChIInChI=1S/C16H22ClNO/c17-15-6-3-4-13(10-14-5-1-2-9-18-14)16(15)19-11-12-7-8-12/h3-4,6,12,14,18H,1-2,5,7-11H2
InChIKeyLBETYKRSQWHPGF-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.81
Rot. Bonds5

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

2-[[3-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperidine (PubChem CID 117449038) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-[[3-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperidine.

Molecular Properties

Compound Name2-[[3-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperidine
PubChem CID117449038
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name2-[[3-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperidine
SMILESClc1cccc(CC2CCCCN2)c1OCC1CC1
InChIInChI=1S/C16H22ClNO/c17-15-6-3-4-13(10-14-5-1-2-9-18-14)16(15)19-11-12-7-8-12/h3-4,6,12,14,18H,1-2,5,7-11H2
InChIKeyLBETYKRSQWHPGF-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2,6-dichlorophenoxy)methyl]pyrrolidine
CID 102820117
2-[3-chloro-2-(cyclopropylmethoxy)phenyl]piperidine
CID 117418878
1-(bromomethyl)-3-chloro-2-(cyclopentylmethoxy)benzene
CID 112613746
2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine
CID 114489582
2-chloro-6-(pyrrolidin-2-ylmethyl)aniline
CID 105464674
2-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperidine
CID 117436647
2-[(2-chloro-3-fluorophenyl)methyl]azepane
CID 112654464
(2R)-2-[(2-chloro-6-nitrophenoxy)methyl]pyrrolidine
CID 107716862
2-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine
CID 117494502
2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 112654463
(2R)-2-[(3-chloro-2-fluorophenoxy)methyl]pyrrolidine
CID 102820264
2-[[3-chloro-4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidine
CID 117418728

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperidine?
The IUPAC name of 2-[[3-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperidine (CID 117449038) is 2-[[3-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperidine.
What is the SMILES notation for 2-[[3-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperidine?
The canonical SMILES for 2-[[3-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperidine is Clc1cccc(CC2CCCCN2)c1OCC1CC1.
What is the InChIKey of 2-[[3-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperidine?
The InChIKey is LBETYKRSQWHPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c17-15-6-3-4-13(10-14-5-1-2-9-18-14)16(15)19-11-12-7-8-12/h3-4,6,12,14,18H,1-2,5,7-11H2.
What are the key properties of 2-[[3-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperidine?
2-[[3-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperidine has a molecular weight of 279.81 g/mol, XLogP of 3.81, 5 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]methyl]piperidine is sourced from PubChem (CID 117449038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).