3-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]piperidine

C16H24ClNO2 — CID 117479530

IUPAC3-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]piperidine
SMILESCOc1cc(CC2CCCNC2)c(Cl)cc1OC(C)C
InChIInChI=1S/C16H24ClNO2/c1-11(2)20-16-9-14(17)13(8-15(16)19-3)7-12-5-4-6-18-10-12/h8-9,11-12,18H,4-7,10H2,1-3H3
InChIKeyNXLBVLAOWUBRDQ-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.68
Rot. Bonds5

About 3-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]piperidine

3-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]piperidine (PubChem CID 117479530) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 3-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]piperidine
PubChem CID117479530
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name3-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]piperidine
SMILESCOc1cc(CC2CCCNC2)c(Cl)cc1OC(C)C
InChIInChI=1S/C16H24ClNO2/c1-11(2)20-16-9-14(17)13(8-15(16)19-3)7-12-5-4-6-18-10-12/h8-9,11-12,18H,4-7,10H2,1-3H3
InChIKeyNXLBVLAOWUBRDQ-UHFFFAOYSA-N
XLogP3.68
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-methoxy-4-(piperidin-3-ylmethyl)phenol
CID 117392596
3-[[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]methyl]piperidine
CID 117451785
3-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398036
3-[(3-chloro-2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117464468
3-[(5-chloro-3,4-dimethoxy-2-methylphenyl)methyl]piperidine
CID 117456363
3-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine
CID 84798639
3-[(2-chloro-3,4,6-trimethoxyphenyl)methyl]piperidine
CID 117482743
N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]cycloheptanamine
CID 66530918
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
3-[(4-chloro-7-methoxy-1-benzofuran-5-yl)methyl]piperidine
CID 117448942
3-[(3,5-dimethoxy-2-methylphenyl)methyl]piperidine
CID 117377185
3-[(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methyl]piperidine
CID 117371537

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]piperidine?
The IUPAC name of 3-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]piperidine (CID 117479530) is 3-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]piperidine.
What is the SMILES notation for 3-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]piperidine?
The canonical SMILES for 3-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]piperidine is COc1cc(CC2CCCNC2)c(Cl)cc1OC(C)C.
What is the InChIKey of 3-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]piperidine?
The InChIKey is NXLBVLAOWUBRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-11(2)20-16-9-14(17)13(8-15(16)19-3)7-12-5-4-6-18-10-12/h8-9,11-12,18H,4-7,10H2,1-3H3.
What are the key properties of 3-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]piperidine?
3-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]piperidine has a molecular weight of 297.83 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]piperidine is sourced from PubChem (CID 117479530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).