4-[(4-cyclopropyl-3-methoxyphenyl)methyl]piperidine

C16H23NO — CID 117366089

IUPAC4-[(4-cyclopropyl-3-methoxyphenyl)methyl]piperidine
SMILESCOc1cc(CC2CCNCC2)ccc1C1CC1
InChIInChI=1S/C16H23NO/c1-18-16-11-13(2-5-15(16)14-3-4-14)10-12-6-8-17-9-7-12/h2,5,11-12,14,17H,3-4,6-10H2,1H3
InChIKeyNHKJDXWMDSYGDL-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.11
Rot. Bonds4

About 4-[(4-cyclopropyl-3-methoxyphenyl)methyl]piperidine

4-[(4-cyclopropyl-3-methoxyphenyl)methyl]piperidine (PubChem CID 117366089) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-[(4-cyclopropyl-3-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(4-cyclopropyl-3-methoxyphenyl)methyl]piperidine
PubChem CID117366089
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4-[(4-cyclopropyl-3-methoxyphenyl)methyl]piperidine
SMILESCOc1cc(CC2CCNCC2)ccc1C1CC1
InChIInChI=1S/C16H23NO/c1-18-16-11-13(2-5-15(16)14-3-4-14)10-12-6-8-17-9-7-12/h2,5,11-12,14,17H,3-4,6-10H2,1H3
InChIKeyNHKJDXWMDSYGDL-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2,3-dimethoxy-5-(piperidin-4-ylmethyl)benzaldehyde
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4-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]piperidine
CID 117470870
2-methoxy-5-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride
CID 18539168
4-[[4-(methoxymethyl)phenyl]methyl]piperidine
CID 84786985
3-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]piperidine
CID 117485752
3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine
CID 174896705
1-[(4-cyclopropyl-3-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117309842
4-(2-methoxyphenyl)piperidine
CID 544738
4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386378
4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine
CID 117377234

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropyl-3-methoxyphenyl)methyl]piperidine?
The IUPAC name of 4-[(4-cyclopropyl-3-methoxyphenyl)methyl]piperidine (CID 117366089) is 4-[(4-cyclopropyl-3-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(4-cyclopropyl-3-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 4-[(4-cyclopropyl-3-methoxyphenyl)methyl]piperidine is COc1cc(CC2CCNCC2)ccc1C1CC1.
What is the InChIKey of 4-[(4-cyclopropyl-3-methoxyphenyl)methyl]piperidine?
The InChIKey is NHKJDXWMDSYGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-18-16-11-13(2-5-15(16)14-3-4-14)10-12-6-8-17-9-7-12/h2,5,11-12,14,17H,3-4,6-10H2,1H3.
What are the key properties of 4-[(4-cyclopropyl-3-methoxyphenyl)methyl]piperidine?
4-[(4-cyclopropyl-3-methoxyphenyl)methyl]piperidine has a molecular weight of 245.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropyl-3-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 117366089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).