4-(5-tert-butylpiperidin-3-yl)-3-fluoro-3-methylbutan-1-ol

C14H28FNO — CID 178133858

IUPAC4-(5-tert-butylpiperidin-3-yl)-3-fluoro-3-methylbutan-1-ol
SMILESCC(F)(CCO)CC1CNCC(C(C)(C)C)C1
InChIInChI=1S/C14H28FNO/c1-13(2,3)12-7-11(9-16-10-12)8-14(4,15)5-6-17/h11-12,16-17H,5-10H2,1-4H3
InChIKeyDJAFBFVDFVCJJA-UHFFFAOYSA-N
MW245.38 g/mol
LogP2.76
Rot. Bonds4

About 4-(5-tert-butylpiperidin-3-yl)-3-fluoro-3-methylbutan-1-ol

4-(5-tert-butylpiperidin-3-yl)-3-fluoro-3-methylbutan-1-ol (PubChem CID 178133858) has the molecular formula C14H28FNO and a molecular weight of 245.38 g/mol. Its IUPAC name is 4-(5-tert-butylpiperidin-3-yl)-3-fluoro-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-(5-tert-butylpiperidin-3-yl)-3-fluoro-3-methylbutan-1-ol
PubChem CID178133858
Molecular FormulaC14H28FNO
Molecular Weight245.38 g/mol
Exact Mass245.22
IUPAC Name4-(5-tert-butylpiperidin-3-yl)-3-fluoro-3-methylbutan-1-ol
SMILESCC(F)(CCO)CC1CNCC(C(C)(C)C)C1
InChIInChI=1S/C14H28FNO/c1-13(2,3)12-7-11(9-16-10-12)8-14(4,15)5-6-17/h11-12,16-17H,5-10H2,1-4H3
InChIKeyDJAFBFVDFVCJJA-UHFFFAOYSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Piperidyl)-1-butanol hydrochloride
CID 2784667
4-(4-Piperidyl)-1-butanol
CID 2784668
5-(3-Ethyl-1-fluoroheptyl)piperidin-3-ol
CID 144175351
5-(1-Fluoro-3-methylheptyl)piperidin-3-ol
CID 144175376
(7S,8S)-8-(3-ethyl-1-fluorohexyl)-6-methyl-4-azaspiro[2.5]octan-7-ol
CID 144874068
Ethylamino-[4-(trifluoromethyl)-8-azaspiro[4.5]decan-3-yl]methanol
CID 163884597
3-Tert-butyl-4-fluoropiperidin-2-ol
CID 164775445
2-[(3S,4S,5R)-4-fluoro-5-methylpiperidin-3-yl]ethanol
CID 167458484
2-[(3R,4R,5S)-4-fluoro-5-methylpiperidin-3-yl]ethanol
CID 167458502
3-Fluoro-2-methyl-8-azaspiro[4.5]decan-4-ol
CID 168860984
(2R)-2-fluoro-2-[(3S)-piperidin-3-yl]propan-1-ol
CID 171842824
(2S)-2-fluoro-2-[(3S)-piperidin-3-yl]propan-1-ol
CID 171842964

Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butylpiperidin-3-yl)-3-fluoro-3-methylbutan-1-ol?
The IUPAC name of 4-(5-tert-butylpiperidin-3-yl)-3-fluoro-3-methylbutan-1-ol (CID 178133858) is 4-(5-tert-butylpiperidin-3-yl)-3-fluoro-3-methylbutan-1-ol.
What is the SMILES notation for 4-(5-tert-butylpiperidin-3-yl)-3-fluoro-3-methylbutan-1-ol?
The canonical SMILES for 4-(5-tert-butylpiperidin-3-yl)-3-fluoro-3-methylbutan-1-ol is CC(F)(CCO)CC1CNCC(C(C)(C)C)C1.
What is the InChIKey of 4-(5-tert-butylpiperidin-3-yl)-3-fluoro-3-methylbutan-1-ol?
The InChIKey is DJAFBFVDFVCJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28FNO/c1-13(2,3)12-7-11(9-16-10-12)8-14(4,15)5-6-17/h11-12,16-17H,5-10H2,1-4H3.
What are the key properties of 4-(5-tert-butylpiperidin-3-yl)-3-fluoro-3-methylbutan-1-ol?
4-(5-tert-butylpiperidin-3-yl)-3-fluoro-3-methylbutan-1-ol has a molecular weight of 245.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butylpiperidin-3-yl)-3-fluoro-3-methylbutan-1-ol is sourced from PubChem (CID 178133858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).