2-[(5-cyclohexyl-2-methoxyphenyl)methyl]piperidine

C19H29NO — CID 117464172

IUPAC2-[(5-cyclohexyl-2-methoxyphenyl)methyl]piperidine
SMILESCOc1ccc(C2CCCCC2)cc1CC1CCCCN1
InChIInChI=1S/C19H29NO/c1-21-19-11-10-16(15-7-3-2-4-8-15)13-17(19)14-18-9-5-6-12-20-18/h10-11,13,15,18,20H,2-9,12,14H2,1H3
InChIKeyCQQQYKSPNAKADG-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.43
Rot. Bonds4

About 2-[(5-cyclohexyl-2-methoxyphenyl)methyl]piperidine

2-[(5-cyclohexyl-2-methoxyphenyl)methyl]piperidine (PubChem CID 117464172) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-[(5-cyclohexyl-2-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(5-cyclohexyl-2-methoxyphenyl)methyl]piperidine
PubChem CID117464172
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2-[(5-cyclohexyl-2-methoxyphenyl)methyl]piperidine
SMILESCOc1ccc(C2CCCCC2)cc1CC1CCCCN1
InChIInChI=1S/C19H29NO/c1-21-19-11-10-16(15-7-3-2-4-8-15)13-17(19)14-18-9-5-6-12-20-18/h10-11,13,15,18,20H,2-9,12,14H2,1H3
InChIKeyCQQQYKSPNAKADG-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[5-(1-fluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine
CID 84700259
2-[(2,4-dimethoxyphenyl)methyl]piperidine
CID 62800646
2-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]piperidine
CID 117347458
2-[(2,3,6-trimethoxyphenyl)methyl]piperidine
CID 117417665
2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413167
2-[(3-chloro-4-methoxyphenyl)methyl]piperidine
CID 82084437
2-[(4-methoxy-3-phenylphenyl)methyl]piperidine
CID 117451820
2-[(2,5-difluoro-3-methoxyphenyl)methyl]piperidine
CID 117355169
2-[(2,3,5-trimethoxyphenyl)methyl]piperidine
CID 117417667
2-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperidine
CID 117459514
2-[[4-(difluoromethyl)-2,5-dimethoxyphenyl]methyl]piperidine
CID 117459511
2-[(2,6-dimethoxy-3-methylphenyl)methyl]piperidine
CID 117377139

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclohexyl-2-methoxyphenyl)methyl]piperidine?
The IUPAC name of 2-[(5-cyclohexyl-2-methoxyphenyl)methyl]piperidine (CID 117464172) is 2-[(5-cyclohexyl-2-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 2-[(5-cyclohexyl-2-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 2-[(5-cyclohexyl-2-methoxyphenyl)methyl]piperidine is COc1ccc(C2CCCCC2)cc1CC1CCCCN1.
What is the InChIKey of 2-[(5-cyclohexyl-2-methoxyphenyl)methyl]piperidine?
The InChIKey is CQQQYKSPNAKADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-21-19-11-10-16(15-7-3-2-4-8-15)13-17(19)14-18-9-5-6-12-20-18/h10-11,13,15,18,20H,2-9,12,14H2,1H3.
What are the key properties of 2-[(5-cyclohexyl-2-methoxyphenyl)methyl]piperidine?
2-[(5-cyclohexyl-2-methoxyphenyl)methyl]piperidine has a molecular weight of 287.45 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclohexyl-2-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 117464172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).