2-(4-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile

C10H18N2O — CID 167226625

IUPAC2-(4-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile
SMILESCC(C)N1CCC(O)C(CC#N)C1
InChIInChI=1S/C10H18N2O/c1-8(2)12-6-4-10(13)9(7-12)3-5-11/h8-10,13H,3-4,6-7H2,1-2H3
InChIKeyIUURYAGTWDURFI-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.99
Rot. Bonds2

About 2-(4-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile

2-(4-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile (PubChem CID 167226625) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(4-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile
PubChem CID167226625
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-(4-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile
SMILESCC(C)N1CCC(O)C(CC#N)C1
InChIInChI=1S/C10H18N2O/c1-8(2)12-6-4-10(13)9(7-12)3-5-11/h8-10,13H,3-4,6-7H2,1-2H3
InChIKeyIUURYAGTWDURFI-UHFFFAOYSA-N
XLogP0.99
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(cyanomethyl)-1-propan-2-ylpiperidin-4-yl]pyrrolidine-1-carbonitrile
CID 164922020
2-[(3R,4S)-3-hydroxy-1-(1-phenylethyl)piperidin-4-yl]acetonitrile
CID 134280560
4-(aminomethyl)-1-propan-2-ylpiperidin-3-ol
CID 83846266
(3R,4R)-3-hydroxy-1-propan-2-ylpiperidine-4-carbonitrile
CID 177091434
(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-ol
CID 166157415
2-(3-hydroxy-1-methylpiperidin-4-yl)acetonitrile
CID 105430088
3-ethyl-1-(3-methylbutan-2-yl)piperidin-4-ol
CID 126999297
(3S)-1-propan-2-ylpyrrolidin-3-ol
CID 45087375
2-(4-propan-2-ylmorpholin-2-yl)acetonitrile
CID 64534117
(2R)-2-[(3R,4S)-4-hydroxy-3-propylpiperidin-1-yl]propanoic acid
CID 129499913
(3R,4S)-1,4-di(propan-2-yl)piperidin-3-ol
CID 155636797
2-(1-propan-2-yl-1,4-diazepan-5-yl)acetonitrile
CID 177038211

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile?
The IUPAC name of 2-(4-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile (CID 167226625) is 2-(4-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile.
What is the SMILES notation for 2-(4-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile?
The canonical SMILES for 2-(4-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile is CC(C)N1CCC(O)C(CC#N)C1.
What is the InChIKey of 2-(4-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile?
The InChIKey is IUURYAGTWDURFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(2)12-6-4-10(13)9(7-12)3-5-11/h8-10,13H,3-4,6-7H2,1-2H3.
What are the key properties of 2-(4-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile?
2-(4-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile has a molecular weight of 182.27 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile is sourced from PubChem (CID 167226625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).