1-(4-amino-3-methylpiperidin-1-yl)-3-fluoropropan-2-ol

C9H19FN2O — CID 131112804

IUPAC1-(4-amino-3-methylpiperidin-1-yl)-3-fluoropropan-2-ol
SMILESCC1CN(CC(O)CF)CCC1N
InChIInChI=1S/C9H19FN2O/c1-7-5-12(3-2-9(7)11)6-8(13)4-10/h7-9,13H,2-6,11H2,1H3
InChIKeyVDNTVAAJMSANFV-UHFFFAOYSA-N
MW190.26 g/mol
LogP-0.01
Rot. Bonds3

About 1-(4-amino-3-methylpiperidin-1-yl)-3-fluoropropan-2-ol

1-(4-amino-3-methylpiperidin-1-yl)-3-fluoropropan-2-ol (PubChem CID 131112804) has the molecular formula C9H19FN2O and a molecular weight of 190.26 g/mol. Its IUPAC name is 1-(4-amino-3-methylpiperidin-1-yl)-3-fluoropropan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3-methylpiperidin-1-yl)-3-fluoropropan-2-ol
PubChem CID131112804
Molecular FormulaC9H19FN2O
Molecular Weight190.26 g/mol
Exact Mass190.15
IUPAC Name1-(4-amino-3-methylpiperidin-1-yl)-3-fluoropropan-2-ol
SMILESCC1CN(CC(O)CF)CCC1N
InChIInChI=1S/C9H19FN2O/c1-7-5-12(3-2-9(7)11)6-8(13)4-10/h7-9,13H,2-6,11H2,1H3
InChIKeyVDNTVAAJMSANFV-UHFFFAOYSA-N
XLogP-0.01
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperidin-4-amine
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1-(4-amino-3-ethylpiperidin-1-yl)butan-2-ol
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2-(4-amino-3-methylpiperidin-1-yl)-N,N-bis(2-methylpropyl)acetamide
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1-fluoro-3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]propan-2-ol
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1-(3-bromo-2-hydroxypropyl)-3-methylpiperidin-4-ol
CID 114681046
3-methyl-1-(2-phenylpropyl)piperidin-4-amine
CID 79879108
1-(3-amino-4-methylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992591
2-(4-amino-3-methylpiperidin-1-yl)-N,N-dipropylacetamide;hydrochloride
CID 119925188
3-(3-methylpyrrolidin-1-yl)propane-1,2-diol
CID 23396961
3-[(3R)-3-aminopyrrolidin-1-yl]propane-1,2-diol
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CID 115492032

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methylpiperidin-1-yl)-3-fluoropropan-2-ol?
The IUPAC name of 1-(4-amino-3-methylpiperidin-1-yl)-3-fluoropropan-2-ol (CID 131112804) is 1-(4-amino-3-methylpiperidin-1-yl)-3-fluoropropan-2-ol.
What is the SMILES notation for 1-(4-amino-3-methylpiperidin-1-yl)-3-fluoropropan-2-ol?
The canonical SMILES for 1-(4-amino-3-methylpiperidin-1-yl)-3-fluoropropan-2-ol is CC1CN(CC(O)CF)CCC1N.
What is the InChIKey of 1-(4-amino-3-methylpiperidin-1-yl)-3-fluoropropan-2-ol?
The InChIKey is VDNTVAAJMSANFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2O/c1-7-5-12(3-2-9(7)11)6-8(13)4-10/h7-9,13H,2-6,11H2,1H3.
What are the key properties of 1-(4-amino-3-methylpiperidin-1-yl)-3-fluoropropan-2-ol?
1-(4-amino-3-methylpiperidin-1-yl)-3-fluoropropan-2-ol has a molecular weight of 190.26 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methylpiperidin-1-yl)-3-fluoropropan-2-ol is sourced from PubChem (CID 131112804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).