(3S,4S)-1-(5-fluoropentyl)-3-methylpiperidin-4-ol

C11H22FNO — CID 124862124

IUPAC(3S,4S)-1-(5-fluoropentyl)-3-methylpiperidin-4-ol
SMILESC[C@H]1CN(CCCCCF)CC[C@@H]1O
InChIInChI=1S/C11H22FNO/c1-10-9-13(8-5-11(10)14)7-4-2-3-6-12/h10-11,14H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyLJYVTSWTJAEFRH-QWRGUYRKSA-N
MW203.30 g/mol
LogP1.83
Rot. Bonds5

About (3S,4S)-1-(5-fluoropentyl)-3-methylpiperidin-4-ol

(3S,4S)-1-(5-fluoropentyl)-3-methylpiperidin-4-ol (PubChem CID 124862124) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is (3S,4S)-1-(5-fluoropentyl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-1-(5-fluoropentyl)-3-methylpiperidin-4-ol
PubChem CID124862124
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name(3S,4S)-1-(5-fluoropentyl)-3-methylpiperidin-4-ol
SMILESC[C@H]1CN(CCCCCF)CC[C@@H]1O
InChIInChI=1S/C11H22FNO/c1-10-9-13(8-5-11(10)14)7-4-2-3-6-12/h10-11,14H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyLJYVTSWTJAEFRH-QWRGUYRKSA-N
XLogP1.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-(2-piperidin-1-ylethyl)piperidin-4-ol
CID 114502746
1-(6-amino-5,5-dimethylhexyl)-3-methylpiperidin-4-ol
CID 106708252
1-[3-(tert-butylamino)propyl]-3-methylpiperidin-4-ol
CID 114681079
1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperidin-4-ol
CID 103182854
3-methyl-1-[2-(methylamino)ethyl]piperidin-4-ol
CID 114681093
(3R,4R)-1-(2-methoxyethyl)-3-methylpiperidin-4-ol
CID 129445729
(3S,4R)-1-ethyl-3-methylpiperidin-4-ol
CID 143448112
1-[3-(4-fluorophenoxy)propyl]-3-methylpiperidin-4-ol
CID 114681363
5-(3,4-dimethylpiperidin-1-yl)pentan-1-ol
CID 115873446
2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
CID 129445651
2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
CID 129381021
3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-ol
CID 114502590

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(5-fluoropentyl)-3-methylpiperidin-4-ol?
The IUPAC name of (3S,4S)-1-(5-fluoropentyl)-3-methylpiperidin-4-ol (CID 124862124) is (3S,4S)-1-(5-fluoropentyl)-3-methylpiperidin-4-ol.
What is the SMILES notation for (3S,4S)-1-(5-fluoropentyl)-3-methylpiperidin-4-ol?
The canonical SMILES for (3S,4S)-1-(5-fluoropentyl)-3-methylpiperidin-4-ol is C[C@H]1CN(CCCCCF)CC[C@@H]1O.
What is the InChIKey of (3S,4S)-1-(5-fluoropentyl)-3-methylpiperidin-4-ol?
The InChIKey is LJYVTSWTJAEFRH-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H22FNO/c1-10-9-13(8-5-11(10)14)7-4-2-3-6-12/h10-11,14H,2-9H2,1H3/t10-,11-/m0/s1.
What are the key properties of (3S,4S)-1-(5-fluoropentyl)-3-methylpiperidin-4-ol?
(3S,4S)-1-(5-fluoropentyl)-3-methylpiperidin-4-ol has a molecular weight of 203.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(5-fluoropentyl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 124862124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).