1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-ol

C12H21F2NO — CID 128699600

IUPAC1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-ol
SMILESOC1CCN(CC2CCC(F)(F)CC2)CC1
InChIInChI=1S/C12H21F2NO/c13-12(14)5-1-10(2-6-12)9-15-7-3-11(16)4-8-15/h10-11,16H,1-9H2
InChIKeyDTFRAOIUIGQPQT-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.27
Rot. Bonds2

About 1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-ol

1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-ol (PubChem CID 128699600) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is 1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-ol
PubChem CID128699600
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC Name1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-ol
SMILESOC1CCN(CC2CCC(F)(F)CC2)CC1
InChIInChI=1S/C12H21F2NO/c13-12(14)5-1-10(2-6-12)9-15-7-3-11(16)4-8-15/h10-11,16H,1-9H2
InChIKeyDTFRAOIUIGQPQT-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-ol (CID 128699600) is 1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-ol is OC1CCN(CC2CCC(F)(F)CC2)CC1.
What is the InChIKey of 1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-ol?
The InChIKey is DTFRAOIUIGQPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO/c13-12(14)5-1-10(2-6-12)9-15-7-3-11(16)4-8-15/h10-11,16H,1-9H2.
What are the key properties of 1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-ol?
1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-ol has a molecular weight of 233.30 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-ol is sourced from PubChem (CID 128699600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).