1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidin-4-ol

C14H25F2NO — CID 157039031

IUPAC1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidin-4-ol
SMILESCC(F)(F)C1CCC(CN2CCC(O)CC2)CC1
InChIInChI=1S/C14H25F2NO/c1-14(15,16)12-4-2-11(3-5-12)10-17-8-6-13(18)7-9-17/h11-13,18H,2-10H2,1H3
InChIKeyPBDJTFVXZDZSFT-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.90
Rot. Bonds3

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

1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidin-4-ol (PubChem CID 157039031) has the molecular formula C14H25F2NO and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidin-4-ol
PubChem CID157039031
Molecular FormulaC14H25F2NO
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidin-4-ol
SMILESCC(F)(F)C1CCC(CN2CCC(O)CC2)CC1
InChIInChI=1S/C14H25F2NO/c1-14(15,16)12-4-2-11(3-5-12)10-17-8-6-13(18)7-9-17/h11-13,18H,2-10H2,1H3
InChIKeyPBDJTFVXZDZSFT-UHFFFAOYSA-N
XLogP2.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidin-4-ol (CID 157039031) is 1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidin-4-ol is CC(F)(F)C1CCC(CN2CCC(O)CC2)CC1.
What is the InChIKey of 1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidin-4-ol?
The InChIKey is PBDJTFVXZDZSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO/c1-14(15,16)12-4-2-11(3-5-12)10-17-8-6-13(18)7-9-17/h11-13,18H,2-10H2,1H3.
What are the key properties of 1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidin-4-ol?
1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidin-4-ol has a molecular weight of 261.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]piperidin-4-ol is sourced from PubChem (CID 157039031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).