4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine

C14H20ClNO — CID 82298661

IUPAC4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine
SMILESCOc1cc(C)c(Cl)cc1CC1CCNCC1
InChIInChI=1S/C14H20ClNO/c1-10-7-14(17-2)12(9-13(10)15)8-11-3-5-16-6-4-11/h7,9,11,16H,3-6,8H2,1-2H3
InChIKeyKARAOVVFKBUWON-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.20
Rot. Bonds3

About 4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine

4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine (PubChem CID 82298661) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine
PubChem CID82298661
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine
SMILESCOc1cc(C)c(Cl)cc1CC1CCNCC1
InChIInChI=1S/C14H20ClNO/c1-10-7-14(17-2)12(9-13(10)15)8-11-3-5-16-6-4-11/h7,9,11,16H,3-6,8H2,1-2H3
InChIKeyKARAOVVFKBUWON-UHFFFAOYSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 84798681
3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclobutan-1-amine
CID 116926457
4-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]piperidine
CID 117398047
4-[(4-chloro-2-methoxyphenyl)methyl]piperidine
CID 84800099
4-[(5-chloro-3-methoxy-2-methylphenyl)methyl]piperidine
CID 117387723
4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine
CID 117444876
4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413201
5-methoxy-4-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84797533
4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine
CID 117377234
3-[(5-chloro-4-methoxy-2-methylphenyl)methyl]azetidine
CID 82287742
3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]morpholine
CID 116927929
4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidine
CID 117427876

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine?
The IUPAC name of 4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine (CID 82298661) is 4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine?
The canonical SMILES for 4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine is COc1cc(C)c(Cl)cc1CC1CCNCC1.
What is the InChIKey of 4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine?
The InChIKey is KARAOVVFKBUWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10-7-14(17-2)12(9-13(10)15)8-11-3-5-16-6-4-11/h7,9,11,16H,3-6,8H2,1-2H3.
What are the key properties of 4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine?
4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine has a molecular weight of 253.77 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine is sourced from PubChem (CID 82298661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).