[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]methanol

C12H23FN2O — CID 172561995

IUPAC[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(CC2(F)CCNCC2)CC1
InChIInChI=1S/C12H23FN2O/c13-12(3-5-14-6-4-12)10-15-7-1-11(9-16)2-8-15/h11,14,16H,1-10H2
InChIKeyWMRNUKNSLGDCJP-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.78
Rot. Bonds3

About [1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]methanol

[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]methanol (PubChem CID 172561995) has the molecular formula C12H23FN2O and a molecular weight of 230.33 g/mol. Its IUPAC name is [1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]methanol
PubChem CID172561995
Molecular FormulaC12H23FN2O
Molecular Weight230.33 g/mol
Exact Mass230.18
IUPAC Name[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(CC2(F)CCNCC2)CC1
InChIInChI=1S/C12H23FN2O/c13-12(3-5-14-6-4-12)10-15-7-1-11(9-16)2-8-15/h11,14,16H,1-10H2
InChIKeyWMRNUKNSLGDCJP-UHFFFAOYSA-N
XLogP0.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]methanol (CID 172561995) is [1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]methanol is OCC1CCN(CC2(F)CCNCC2)CC1.
What is the InChIKey of [1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]methanol?
The InChIKey is WMRNUKNSLGDCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2O/c13-12(3-5-14-6-4-12)10-15-7-1-11(9-16)2-8-15/h11,14,16H,1-10H2.
What are the key properties of [1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]methanol?
[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]methanol has a molecular weight of 230.33 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 172561995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).