4-[(3,3-difluorocyclopentyl)methyl]-1-propan-2-ylpiperidin-4-ol

C14H25F2NO — CID 114224451

IUPAC4-[(3,3-difluorocyclopentyl)methyl]-1-propan-2-ylpiperidin-4-ol
SMILESCC(C)N1CCC(O)(CC2CCC(F)(F)C2)CC1
InChIInChI=1S/C14H25F2NO/c1-11(2)17-7-5-13(18,6-8-17)9-12-3-4-14(15,16)10-12/h11-12,18H,3-10H2,1-2H3
InChIKeyBXXSYFGCFWURTL-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.05
Rot. Bonds3

About 4-[(3,3-difluorocyclopentyl)methyl]-1-propan-2-ylpiperidin-4-ol

4-[(3,3-difluorocyclopentyl)methyl]-1-propan-2-ylpiperidin-4-ol (PubChem CID 114224451) has the molecular formula C14H25F2NO and a molecular weight of 261.36 g/mol. Its IUPAC name is 4-[(3,3-difluorocyclopentyl)methyl]-1-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(3,3-difluorocyclopentyl)methyl]-1-propan-2-ylpiperidin-4-ol
PubChem CID114224451
Molecular FormulaC14H25F2NO
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name4-[(3,3-difluorocyclopentyl)methyl]-1-propan-2-ylpiperidin-4-ol
SMILESCC(C)N1CCC(O)(CC2CCC(F)(F)C2)CC1
InChIInChI=1S/C14H25F2NO/c1-11(2)17-7-5-13(18,6-8-17)9-12-3-4-14(15,16)10-12/h11-12,18H,3-10H2,1-2H3
InChIKeyBXXSYFGCFWURTL-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-difluorocyclopentyl)methyl]-1-propan-2-ylpiperidin-4-ol?
The IUPAC name of 4-[(3,3-difluorocyclopentyl)methyl]-1-propan-2-ylpiperidin-4-ol (CID 114224451) is 4-[(3,3-difluorocyclopentyl)methyl]-1-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for 4-[(3,3-difluorocyclopentyl)methyl]-1-propan-2-ylpiperidin-4-ol?
The canonical SMILES for 4-[(3,3-difluorocyclopentyl)methyl]-1-propan-2-ylpiperidin-4-ol is CC(C)N1CCC(O)(CC2CCC(F)(F)C2)CC1.
What is the InChIKey of 4-[(3,3-difluorocyclopentyl)methyl]-1-propan-2-ylpiperidin-4-ol?
The InChIKey is BXXSYFGCFWURTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO/c1-11(2)17-7-5-13(18,6-8-17)9-12-3-4-14(15,16)10-12/h11-12,18H,3-10H2,1-2H3.
What are the key properties of 4-[(3,3-difluorocyclopentyl)methyl]-1-propan-2-ylpiperidin-4-ol?
4-[(3,3-difluorocyclopentyl)methyl]-1-propan-2-ylpiperidin-4-ol has a molecular weight of 261.36 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-difluorocyclopentyl)methyl]-1-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 114224451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).