2-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-ol

C18H26FNO — CID 114350545

IUPAC2-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-ol
SMILESCc1cc(F)ccc1CN1CCCCC1C1CCCC1O
InChIInChI=1S/C18H26FNO/c1-13-11-15(19)9-8-14(13)12-20-10-3-2-6-17(20)16-5-4-7-18(16)21/h8-9,11,16-18,21H,2-7,10,12H2,1H3
InChIKeyIOALZMINCDCTMR-UHFFFAOYSA-N
MW291.41 g/mol
LogP3.65
Rot. Bonds3

About 2-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-ol

2-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-ol (PubChem CID 114350545) has the molecular formula C18H26FNO and a molecular weight of 291.41 g/mol. Its IUPAC name is 2-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-ol
PubChem CID114350545
Molecular FormulaC18H26FNO
Molecular Weight291.41 g/mol
Exact Mass291.20
IUPAC Name2-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-ol
SMILESCc1cc(F)ccc1CN1CCCCC1C1CCCC1O
InChIInChI=1S/C18H26FNO/c1-13-11-15(19)9-8-14(13)12-20-10-3-2-6-17(20)16-5-4-7-18(16)21/h8-9,11,16-18,21H,2-7,10,12H2,1H3
InChIKeyIOALZMINCDCTMR-UHFFFAOYSA-N
XLogP3.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 105376720
2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339286
2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339484
2-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114340133
1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 63249454
1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 65056522
2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 105412100
N-[[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 114346179
2-(1-ethylpiperidin-2-yl)cyclohexan-1-ol
CID 114339807
2-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114340107
1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316184
2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114340129

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-ol?
The IUPAC name of 2-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-ol (CID 114350545) is 2-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-ol is Cc1cc(F)ccc1CN1CCCCC1C1CCCC1O.
What is the InChIKey of 2-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-ol?
The InChIKey is IOALZMINCDCTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO/c1-13-11-15(19)9-8-14(13)12-20-10-3-2-6-17(20)16-5-4-7-18(16)21/h8-9,11,16-18,21H,2-7,10,12H2,1H3.
What are the key properties of 2-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-ol?
2-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-ol has a molecular weight of 291.41 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 114350545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).