[1-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]piperidin-3-yl]methanol

C14H22FN3O — CID 83126773

IUPAC[1-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]piperidin-3-yl]methanol
SMILESNC(CCN1CCCC(CO)C1)c1ccc(F)cn1
InChIInChI=1S/C14H22FN3O/c15-12-3-4-14(17-8-12)13(16)5-7-18-6-1-2-11(9-18)10-19/h3-4,8,11,13,19H,1-2,5-7,9-10,16H2
InChIKeyCKWQGHJOLAAGEG-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.31
Rot. Bonds5

About [1-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]piperidin-3-yl]methanol

[1-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]piperidin-3-yl]methanol (PubChem CID 83126773) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is [1-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]piperidin-3-yl]methanol
PubChem CID83126773
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name[1-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]piperidin-3-yl]methanol
SMILESNC(CCN1CCCC(CO)C1)c1ccc(F)cn1
InChIInChI=1S/C14H22FN3O/c15-12-3-4-14(17-8-12)13(16)5-7-18-6-1-2-11(9-18)10-19/h3-4,8,11,13,19H,1-2,5-7,9-10,16H2
InChIKeyCKWQGHJOLAAGEG-UHFFFAOYSA-N
XLogP1.31
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-pyridinyl)-3-(4-methylazepan-1-yl)propan-1-amine
CID 83126507
1-(5-fluoro-2-pyridinyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 83126705
1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 83126482
1-(5-fluoro-2-pyridinyl)-3-thiomorpholin-4-ylpropan-1-amine
CID 83125999
3-(4-ethoxypiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 83126355
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 83126722
[1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperidin-3-yl]methanol
CID 103937018
3-(2-ethylazepan-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 104692034
[1-[3-(5-fluoro-2-pyridinyl)-2-methyl-3-(methylamino)propyl]pyrrolidin-3-yl]methanol
CID 115967196
3-(6-fluoro-2,3-dihydroindol-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 103502567
1-(5-fluoro-2-pyridinyl)-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-ol
CID 106589121
[1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidin-3-yl]methanol
CID 111463147

Frequently Asked Questions

What is the IUPAC name of [1-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]piperidin-3-yl]methanol (CID 83126773) is [1-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]piperidin-3-yl]methanol is NC(CCN1CCCC(CO)C1)c1ccc(F)cn1.
What is the InChIKey of [1-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]piperidin-3-yl]methanol?
The InChIKey is CKWQGHJOLAAGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c15-12-3-4-14(17-8-12)13(16)5-7-18-6-1-2-11(9-18)10-19/h3-4,8,11,13,19H,1-2,5-7,9-10,16H2.
What are the key properties of [1-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]piperidin-3-yl]methanol?
[1-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]piperidin-3-yl]methanol has a molecular weight of 267.35 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]piperidin-3-yl]methanol is sourced from PubChem (CID 83126773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).