1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbonitrile

C10H18N2O2 — CID 63979053

IUPAC1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbonitrile
SMILESCOCC(O)CN1CCC(C#N)CC1
InChIInChI=1S/C10H18N2O2/c1-14-8-10(13)7-12-4-2-9(6-11)3-5-12/h9-10,13H,2-5,7-8H2,1H3
InChIKeyZCDFECCPPUAJLV-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.23
Rot. Bonds4

About 1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbonitrile

1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbonitrile (PubChem CID 63979053) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbonitrile
PubChem CID63979053
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbonitrile
SMILESCOCC(O)CN1CCC(C#N)CC1
InChIInChI=1S/C10H18N2O2/c1-14-8-10(13)7-12-4-2-9(6-11)3-5-12/h9-10,13H,2-5,7-8H2,1H3
InChIKeyZCDFECCPPUAJLV-UHFFFAOYSA-N
XLogP0.23
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxybutyl)piperidine-4-carbonitrile
CID 63631900
1-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-methoxypropan-2-ol
CID 13310876
1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbaldehyde
CID 63928651
1-(2-hydroxy-3-methoxypropyl)pyrrolidin-3-ol
CID 63930667
1-(2-methylpropyl)piperidine-4-carbonitrile
CID 39236120
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 112627641
[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]carbamic acid
CID 154258087
1-methoxy-3-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63929279
1-[[3-[3-(azocan-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl]piperidine-4-carbonitrile
CID 172661656
1-(2,2-diethoxyethyl)piperidine-4-carbonitrile
CID 75507355
1-[[2-[2-hydroxy-3-(4-hydroxypiperidin-1-yl)propoxy]-5-methoxyphenyl]methyl]piperidine-4-carbonitrile
CID 72910907
1-(4-aminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106988179

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbonitrile (CID 63979053) is 1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbonitrile is COCC(O)CN1CCC(C#N)CC1.
What is the InChIKey of 1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbonitrile?
The InChIKey is ZCDFECCPPUAJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-14-8-10(13)7-12-4-2-9(6-11)3-5-12/h9-10,13H,2-5,7-8H2,1H3.
What are the key properties of 1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbonitrile?
1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbonitrile has a molecular weight of 198.27 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbonitrile is sourced from PubChem (CID 63979053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).