3-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine

C17H24ClNO2 — CID 117494517

IUPAC3-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine
SMILESCOc1c(Cl)cc(CC2CCCNC2)cc1OCC1CC1
InChIInChI=1S/C17H24ClNO2/c1-20-17-15(18)8-14(7-13-3-2-6-19-10-13)9-16(17)21-11-12-4-5-12/h8-9,12-13,19H,2-7,10-11H2,1H3
InChIKeyHQBVNPXOGSVMMF-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.68
Rot. Bonds6

About 3-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine

3-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine (PubChem CID 117494517) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 3-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine.

Molecular Properties

Compound Name3-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine
PubChem CID117494517
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name3-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine
SMILESCOc1c(Cl)cc(CC2CCCNC2)cc1OCC1CC1
InChIInChI=1S/C17H24ClNO2/c1-20-17-15(18)8-14(7-13-3-2-6-19-10-13)9-16(17)21-11-12-4-5-12/h8-9,12-13,19H,2-7,10-11H2,1H3
InChIKeyHQBVNPXOGSVMMF-UHFFFAOYSA-N
XLogP3.68
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]piperidine
CID 117449060
2-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine
CID 117494502
(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 39345701
2-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]pyrrolidine
CID 117476757
3-[(3-chloro-5-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 84802170
3-[(5-chloro-3,4-dimethoxy-2-methylphenyl)methyl]piperidine
CID 117456363
3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride
CID 17039525
2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]-N-methylethanamine
CID 117428032
3-[(2-chloro-3,4,6-trimethoxyphenyl)methyl]piperidine
CID 117482743
3-[(3-bromo-4-fluoro-5-methoxyphenyl)methyl]piperidine
CID 117486667
5-chloro-2-methoxy-4-(piperidin-3-ylmethyl)phenol
CID 117392596
3-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398036

Frequently Asked Questions

What is the IUPAC name of 3-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine?
The IUPAC name of 3-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine (CID 117494517) is 3-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine.
What is the SMILES notation for 3-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine?
The canonical SMILES for 3-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine is COc1c(Cl)cc(CC2CCCNC2)cc1OCC1CC1.
What is the InChIKey of 3-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine?
The InChIKey is HQBVNPXOGSVMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-20-17-15(18)8-14(7-13-3-2-6-19-10-13)9-16(17)21-11-12-4-5-12/h8-9,12-13,19H,2-7,10-11H2,1H3.
What are the key properties of 3-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine?
3-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine has a molecular weight of 309.84 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine is sourced from PubChem (CID 117494517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).