2-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine

C17H24ClNO2 — CID 117494502

IUPAC2-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine
SMILESCOc1c(Cl)cc(CC2CCCCN2)cc1OCC1CC1
InChIInChI=1S/C17H24ClNO2/c1-20-17-15(18)9-13(8-14-4-2-3-7-19-14)10-16(17)21-11-12-5-6-12/h9-10,12,14,19H,2-8,11H2,1H3
InChIKeySNHAFMDNFAZIHN-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.82
Rot. Bonds6

About 2-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine

2-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine (PubChem CID 117494502) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine.

Molecular Properties

Compound Name2-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine
PubChem CID117494502
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name2-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine
SMILESCOc1c(Cl)cc(CC2CCCCN2)cc1OCC1CC1
InChIInChI=1S/C17H24ClNO2/c1-20-17-15(18)9-13(8-14-4-2-3-7-19-14)10-16(17)21-11-12-5-6-12/h9-10,12,14,19H,2-8,11H2,1H3
InChIKeySNHAFMDNFAZIHN-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]pyrrolidine
CID 117476757
2-[[3-chloro-4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidine
CID 117418728
3-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine
CID 117494517
2-[(3-chloro-4-methoxyphenyl)methyl]piperidine
CID 82084437
2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]-N-methylethanamine
CID 117428032
2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386331
3-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]-2,2-dimethylpropanoic acid
CID 117497807
2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]piperidine
CID 117448273
2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117392691
2-[(3,4-diethoxyphenyl)methyl]piperidine
CID 62791915
2-[[3-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperidine
CID 117449038
2-[[3-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methyl]piperidine
CID 117482277

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine?
The IUPAC name of 2-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine (CID 117494502) is 2-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine.
What is the SMILES notation for 2-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine?
The canonical SMILES for 2-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine is COc1c(Cl)cc(CC2CCCCN2)cc1OCC1CC1.
What is the InChIKey of 2-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine?
The InChIKey is SNHAFMDNFAZIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-20-17-15(18)9-13(8-14-4-2-3-7-19-14)10-16(17)21-11-12-5-6-12/h9-10,12,14,19H,2-8,11H2,1H3.
What are the key properties of 2-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine?
2-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine has a molecular weight of 309.84 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine is sourced from PubChem (CID 117494502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).