1-[(5-chloro-2-methoxyphenyl)methyl]piperidine

C13H18ClNO — CID 838248

IUPAC1-[(5-chloro-2-methoxyphenyl)methyl]piperidine
SMILESCOc1ccc(Cl)cc1CN1CCCCC1
InChIInChI=1S/C13H18ClNO/c1-16-13-6-5-12(14)9-11(13)10-15-7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyYRGHGXTVFQVLJV-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.33
Rot. Bonds3

About 1-[(5-chloro-2-methoxyphenyl)methyl]piperidine

1-[(5-chloro-2-methoxyphenyl)methyl]piperidine (PubChem CID 838248) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-[(5-chloro-2-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name1-[(5-chloro-2-methoxyphenyl)methyl]piperidine
PubChem CID838248
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name1-[(5-chloro-2-methoxyphenyl)methyl]piperidine
SMILESCOc1ccc(Cl)cc1CN1CCCCC1
InChIInChI=1S/C13H18ClNO/c1-16-13-6-5-12(14)9-11(13)10-15-7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyYRGHGXTVFQVLJV-UHFFFAOYSA-N
XLogP3.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]piperidine?
The IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]piperidine (CID 838248) is 1-[(5-chloro-2-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 1-[(5-chloro-2-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 1-[(5-chloro-2-methoxyphenyl)methyl]piperidine is COc1ccc(Cl)cc1CN1CCCCC1.
What is the InChIKey of 1-[(5-chloro-2-methoxyphenyl)methyl]piperidine?
The InChIKey is YRGHGXTVFQVLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-16-13-6-5-12(14)9-11(13)10-15-7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3.
What are the key properties of 1-[(5-chloro-2-methoxyphenyl)methyl]piperidine?
1-[(5-chloro-2-methoxyphenyl)methyl]piperidine has a molecular weight of 239.75 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 838248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).