acetonitrile;1-propan-2-ylpiperidin-3-ol

C10H20N2O — CID 144865621

IUPACacetonitrile;1-propan-2-ylpiperidin-3-ol
SMILESCC#N.CC(C)N1CCCC(O)C1
InChIInChI=1S/C8H17NO.C2H3N/c1-7(2)9-5-3-4-8(10)6-9;1-2-3/h7-8,10H,3-6H2,1-2H3;1H3
InChIKeyBOSBKSZWUCETOA-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.38
Rot. Bonds1

About acetonitrile;1-propan-2-ylpiperidin-3-ol

acetonitrile;1-propan-2-ylpiperidin-3-ol (PubChem CID 144865621) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is acetonitrile;1-propan-2-ylpiperidin-3-ol.

Molecular Properties

Compound Nameacetonitrile;1-propan-2-ylpiperidin-3-ol
PubChem CID144865621
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Nameacetonitrile;1-propan-2-ylpiperidin-3-ol
SMILESCC#N.CC(C)N1CCCC(O)C1
InChIInChI=1S/C8H17NO.C2H3N/c1-7(2)9-5-3-4-8(10)6-9;1-2-3/h7-8,10H,3-6H2,1-2H3;1H3
InChIKeyBOSBKSZWUCETOA-UHFFFAOYSA-N
XLogP1.38
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze acetonitrile;1-propan-2-ylpiperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

fluoromethane;1-propan-2-ylpiperidin-3-ol
CID 176976990
(3R)-1-propan-2-ylazepan-3-ol
CID 162493716
(3S)-1-propan-2-ylpyrrolidin-3-ol
CID 45087375
1-(1-cyclopropylethyl)piperidin-3-ol
CID 130668092
(3S,4S)-1-propan-2-ylazepane-3,4-diol
CID 166157364
1-(1-hydroxypropan-2-yl)piperidin-3-ol
CID 77452138
2-[(3R)-3-hydroxypyrrolidin-1-yl]propanenitrile
CID 66291661
(3S)-1-hex-3-yn-2-ylpiperidin-3-ol
CID 127013295
1-(1-cyclopropylpropan-2-yl)piperidin-3-ol
CID 130652123
3-[(3S)-3-hydroxypiperidin-1-yl]-2-methylbutanoic acid
CID 107225641
methyl 2-[(3S)-3-hydroxypiperidin-1-yl]propanoate
CID 107225880
3-(3-hydroxypiperidin-1-yl)-2-methylpropanenitrile
CID 60649366

Frequently Asked Questions

What is the IUPAC name of acetonitrile;1-propan-2-ylpiperidin-3-ol?
The IUPAC name of acetonitrile;1-propan-2-ylpiperidin-3-ol (CID 144865621) is acetonitrile;1-propan-2-ylpiperidin-3-ol.
What is the SMILES notation for acetonitrile;1-propan-2-ylpiperidin-3-ol?
The canonical SMILES for acetonitrile;1-propan-2-ylpiperidin-3-ol is CC#N.CC(C)N1CCCC(O)C1.
What is the InChIKey of acetonitrile;1-propan-2-ylpiperidin-3-ol?
The InChIKey is BOSBKSZWUCETOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C2H3N/c1-7(2)9-5-3-4-8(10)6-9;1-2-3/h7-8,10H,3-6H2,1-2H3;1H3.
What are the key properties of acetonitrile;1-propan-2-ylpiperidin-3-ol?
acetonitrile;1-propan-2-ylpiperidin-3-ol has a molecular weight of 184.28 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;1-propan-2-ylpiperidin-3-ol is sourced from PubChem (CID 144865621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).