3-tert-butyl-4-fluoropiperidin-2-ol

C9H18FNO — CID 164775445

IUPAC3-tert-butyl-4-fluoropiperidin-2-ol
SMILESCC(C)(C)C1C(F)CCNC1O
InChIInChI=1S/C9H18FNO/c1-9(2,3)7-6(10)4-5-11-8(7)12/h6-8,11-12H,4-5H2,1-3H3
InChIKeyGVDLVXHJECRRAZ-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.30
Rot. Bonds

About 3-tert-butyl-4-fluoropiperidin-2-ol

3-tert-butyl-4-fluoropiperidin-2-ol (PubChem CID 164775445) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-tert-butyl-4-fluoropiperidin-2-ol.

Molecular Properties

Compound Name3-tert-butyl-4-fluoropiperidin-2-ol
PubChem CID164775445
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name3-tert-butyl-4-fluoropiperidin-2-ol
SMILESCC(C)(C)C1C(F)CCNC1O
InChIInChI=1S/C9H18FNO/c1-9(2,3)7-6(10)4-5-11-8(7)12/h6-8,11-12H,4-5H2,1-3H3
InChIKeyGVDLVXHJECRRAZ-UHFFFAOYSA-N
XLogP1.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-Methylpiperidin-4-yl)ethan-1-ol
CID 13419581
2-Methyl-2-(piperidin-4-yl)propan-1-ol
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2-(Piperidin-4-yl)propan-1-ol
CID 22928829
(3-Ethylpiperidin-3-yl)methanol hydrochloride
CID 75467424
6-Azaspiro(2.5)octan-1-ylmethanol hydrochloride
CID 75525592
3-Ethyl-2-piperidinol
CID 23422049
(3-(Propan-2-yl)piperidin-3-yl)methanol
CID 84072936
rac-[(3R,5R)-5-tert-butylpiperidin-3-yl]methanol hydrochloride
CID 137935345
(3-Ethylpiperidin-3-YL)methanol
CID 44827704
2-(4-Methylpiperidin-4-yl)ethan-1-ol
CID 55286905
[3-(1,1-Difluoropropan-2-yl)piperidin-4-yl]methanol
CID 67126485
(3S,4R,5R)-5-(2-fluoroethyl)-4-methylpiperidin-3-ol
CID 139513630

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-fluoropiperidin-2-ol?
The IUPAC name of 3-tert-butyl-4-fluoropiperidin-2-ol (CID 164775445) is 3-tert-butyl-4-fluoropiperidin-2-ol.
What is the SMILES notation for 3-tert-butyl-4-fluoropiperidin-2-ol?
The canonical SMILES for 3-tert-butyl-4-fluoropiperidin-2-ol is CC(C)(C)C1C(F)CCNC1O.
What is the InChIKey of 3-tert-butyl-4-fluoropiperidin-2-ol?
The InChIKey is GVDLVXHJECRRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-9(2,3)7-6(10)4-5-11-8(7)12/h6-8,11-12H,4-5H2,1-3H3.
What are the key properties of 3-tert-butyl-4-fluoropiperidin-2-ol?
3-tert-butyl-4-fluoropiperidin-2-ol has a molecular weight of 175.25 g/mol, XLogP of 1.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-fluoropiperidin-2-ol is sourced from PubChem (CID 164775445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).