1-(3,3-difluorocyclopentyl)-2-methyl-3-piperidin-2-ylpropan-2-ol

C14H25F2NO — CID 114224530

IUPAC1-(3,3-difluorocyclopentyl)-2-methyl-3-piperidin-2-ylpropan-2-ol
SMILESCC(O)(CC1CCC(F)(F)C1)CC1CCCCN1
InChIInChI=1S/C14H25F2NO/c1-13(18,10-12-4-2-3-7-17-12)8-11-5-6-14(15,16)9-11/h11-12,17-18H,2-10H2,1H3
InChIKeyKNTOKDBQJQGIAT-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.10
Rot. Bonds4

About 1-(3,3-difluorocyclopentyl)-2-methyl-3-piperidin-2-ylpropan-2-ol

1-(3,3-difluorocyclopentyl)-2-methyl-3-piperidin-2-ylpropan-2-ol (PubChem CID 114224530) has the molecular formula C14H25F2NO and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopentyl)-2-methyl-3-piperidin-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-(3,3-difluorocyclopentyl)-2-methyl-3-piperidin-2-ylpropan-2-ol
PubChem CID114224530
Molecular FormulaC14H25F2NO
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name1-(3,3-difluorocyclopentyl)-2-methyl-3-piperidin-2-ylpropan-2-ol
SMILESCC(O)(CC1CCC(F)(F)C1)CC1CCCCN1
InChIInChI=1S/C14H25F2NO/c1-13(18,10-12-4-2-3-7-17-12)8-11-5-6-14(15,16)9-11/h11-12,17-18H,2-10H2,1H3
InChIKeyKNTOKDBQJQGIAT-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol hydrochloride
CID 68756484
3-(Trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 50990616
(1R,5S)-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 52420906
3-(1,1-Difluoroethyl)-8-methanidyl-8-azoniabicyclo[3.2.1]octan-3-ol
CID 58123630
4-(3,3-Difluorobutyl)piperidin-4-ol
CID 90419711
(1R,5R)-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 98113052
4-(3,3-Difluorobutyl)piperidin-4-ol;ethane
CID 144699596
(3S,5S,6S)-6-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 162614406
1-(3,3-Difluorocyclopentyl)-2-piperidin-2-ylethanol
CID 177970849
1-[(1R)-3,3-difluorocyclopentyl]-2-piperidin-2-ylethanol
CID 177970939
1-[(1S)-3,3-difluorocyclopentyl]-2-piperidin-2-ylethanol
CID 177971208
1-(3,3-Difluorocyclobutyl)-2-piperidin-2-ylethanol
CID 177971342

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclopentyl)-2-methyl-3-piperidin-2-ylpropan-2-ol?
The IUPAC name of 1-(3,3-difluorocyclopentyl)-2-methyl-3-piperidin-2-ylpropan-2-ol (CID 114224530) is 1-(3,3-difluorocyclopentyl)-2-methyl-3-piperidin-2-ylpropan-2-ol.
What is the SMILES notation for 1-(3,3-difluorocyclopentyl)-2-methyl-3-piperidin-2-ylpropan-2-ol?
The canonical SMILES for 1-(3,3-difluorocyclopentyl)-2-methyl-3-piperidin-2-ylpropan-2-ol is CC(O)(CC1CCC(F)(F)C1)CC1CCCCN1.
What is the InChIKey of 1-(3,3-difluorocyclopentyl)-2-methyl-3-piperidin-2-ylpropan-2-ol?
The InChIKey is KNTOKDBQJQGIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO/c1-13(18,10-12-4-2-3-7-17-12)8-11-5-6-14(15,16)9-11/h11-12,17-18H,2-10H2,1H3.
What are the key properties of 1-(3,3-difluorocyclopentyl)-2-methyl-3-piperidin-2-ylpropan-2-ol?
1-(3,3-difluorocyclopentyl)-2-methyl-3-piperidin-2-ylpropan-2-ol has a molecular weight of 261.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclopentyl)-2-methyl-3-piperidin-2-ylpropan-2-ol is sourced from PubChem (CID 114224530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).