[1-[(4,4-difluoropiperidin-1-yl)methyl]cyclopropyl]methanol

C10H17F2NO — CID 116991256

IUPAC[1-[(4,4-difluoropiperidin-1-yl)methyl]cyclopropyl]methanol
SMILESOCC1(CN2CCC(F)(F)CC2)CC1
InChIInChI=1S/C10H17F2NO/c11-10(12)3-5-13(6-4-10)7-9(8-14)1-2-9/h14H,1-8H2
InChIKeyDWLUNMSQZOGXFR-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.49
Rot. Bonds3

About [1-[(4,4-difluoropiperidin-1-yl)methyl]cyclopropyl]methanol

[1-[(4,4-difluoropiperidin-1-yl)methyl]cyclopropyl]methanol (PubChem CID 116991256) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is [1-[(4,4-difluoropiperidin-1-yl)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(4,4-difluoropiperidin-1-yl)methyl]cyclopropyl]methanol
PubChem CID116991256
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name[1-[(4,4-difluoropiperidin-1-yl)methyl]cyclopropyl]methanol
SMILESOCC1(CN2CCC(F)(F)CC2)CC1
InChIInChI=1S/C10H17F2NO/c11-10(12)3-5-13(6-4-10)7-9(8-14)1-2-9/h14H,1-8H2
InChIKeyDWLUNMSQZOGXFR-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(4,4-difluoropiperidin-1-yl)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(4,4-difluoropiperidin-1-yl)methyl]cyclopropyl]methanol (CID 116991256) is [1-[(4,4-difluoropiperidin-1-yl)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(4,4-difluoropiperidin-1-yl)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(4,4-difluoropiperidin-1-yl)methyl]cyclopropyl]methanol is OCC1(CN2CCC(F)(F)CC2)CC1.
What is the InChIKey of [1-[(4,4-difluoropiperidin-1-yl)methyl]cyclopropyl]methanol?
The InChIKey is DWLUNMSQZOGXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c11-10(12)3-5-13(6-4-10)7-9(8-14)1-2-9/h14H,1-8H2.
What are the key properties of [1-[(4,4-difluoropiperidin-1-yl)methyl]cyclopropyl]methanol?
[1-[(4,4-difluoropiperidin-1-yl)methyl]cyclopropyl]methanol has a molecular weight of 205.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4,4-difluoropiperidin-1-yl)methyl]cyclopropyl]methanol is sourced from PubChem (CID 116991256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).