1-[4-(piperidin-1-ylmethyl)phenyl]cyclohexane-1-carboxylic acid

C19H27NO2 — CID 117485692

IUPAC1-[4-(piperidin-1-ylmethyl)phenyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(CN3CCCCC3)cc2)CCCCC1
InChIInChI=1S/C19H27NO2/c21-18(22)19(11-3-1-4-12-19)17-9-7-16(8-10-17)15-20-13-5-2-6-14-20/h7-10H,1-6,11-15H2,(H,21,22)
InChIKeyWUWAQBLPLRDYNE-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.96
Rot. Bonds4

About 1-[4-(piperidin-1-ylmethyl)phenyl]cyclohexane-1-carboxylic acid

1-[4-(piperidin-1-ylmethyl)phenyl]cyclohexane-1-carboxylic acid (PubChem CID 117485692) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-[4-(piperidin-1-ylmethyl)phenyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(piperidin-1-ylmethyl)phenyl]cyclohexane-1-carboxylic acid
PubChem CID117485692
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name1-[4-(piperidin-1-ylmethyl)phenyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(CN3CCCCC3)cc2)CCCCC1
InChIInChI=1S/C19H27NO2/c21-18(22)19(11-3-1-4-12-19)17-9-7-16(8-10-17)15-20-13-5-2-6-14-20/h7-10H,1-6,11-15H2,(H,21,22)
InChIKeyWUWAQBLPLRDYNE-UHFFFAOYSA-N
XLogP3.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-pyrrolidin-1-ylethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117463972
1-[4-[(1-hydroxycyclopropyl)methyl]phenyl]cyclohexane-1-carboxylic acid
CID 117113991
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-4-phenyloxane-4-carboxamide
CID 47085199
1-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]cyclopropane-1-carboxylic acid
CID 117444331
1-[4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine
CID 84793947
1-benzylazepane
CID 10954328
1-[4-(2,2-dimethylpropyl)phenyl]cyclopentane-1-carboxylic acid
CID 117405474
1-[4-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]phenyl]cyclopropane-1-carboxylic acid
CID 18423009
1-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxylic acid
CID 112558554
4-(3-azaspiro[5.5]undecan-3-ylmethyl)benzoic acid
CID 62935868
1-benzyl-4-(4-chlorophenyl)piperidine-4-carbonyl chloride
CID 87592673
1-amino-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119835798

Frequently Asked Questions

What is the IUPAC name of 1-[4-(piperidin-1-ylmethyl)phenyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[4-(piperidin-1-ylmethyl)phenyl]cyclohexane-1-carboxylic acid (CID 117485692) is 1-[4-(piperidin-1-ylmethyl)phenyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(piperidin-1-ylmethyl)phenyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[4-(piperidin-1-ylmethyl)phenyl]cyclohexane-1-carboxylic acid is O=C(O)C1(c2ccc(CN3CCCCC3)cc2)CCCCC1.
What is the InChIKey of 1-[4-(piperidin-1-ylmethyl)phenyl]cyclohexane-1-carboxylic acid?
The InChIKey is WUWAQBLPLRDYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c21-18(22)19(11-3-1-4-12-19)17-9-7-16(8-10-17)15-20-13-5-2-6-14-20/h7-10H,1-6,11-15H2,(H,21,22).
What are the key properties of 1-[4-(piperidin-1-ylmethyl)phenyl]cyclohexane-1-carboxylic acid?
1-[4-(piperidin-1-ylmethyl)phenyl]cyclohexane-1-carboxylic acid has a molecular weight of 301.43 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(piperidin-1-ylmethyl)phenyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117485692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).