6-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]pyridine-2-carbonitrile

C15H19N3O — CID 97124386

IUPAC6-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]pyridine-2-carbonitrile
SMILESC=CC[C@]1(CO)CCCN(c2cccc(C#N)n2)C1
InChIInChI=1S/C15H19N3O/c1-2-7-15(12-19)8-4-9-18(11-15)14-6-3-5-13(10-16)17-14/h2-3,5-6,19H,1,4,7-9,11-12H2/t15-/m0/s1
InChIKeyQOKBEOGEBKSSAE-HNNXBMFYSA-N
MW257.34 g/mol
LogP2.11
Rot. Bonds4

About 6-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]pyridine-2-carbonitrile

6-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 97124386) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]pyridine-2-carbonitrile
PubChem CID97124386
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]pyridine-2-carbonitrile
SMILESC=CC[C@]1(CO)CCCN(c2cccc(C#N)n2)C1
InChIInChI=1S/C15H19N3O/c1-2-7-15(12-19)8-4-9-18(11-15)14-6-3-5-13(10-16)17-14/h2-3,5-6,19H,1,4,7-9,11-12H2/t15-/m0/s1
InChIKeyQOKBEOGEBKSSAE-HNNXBMFYSA-N
XLogP2.11
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(3R)-1-(2-methylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol
CID 97145143
[1-(5-chloro-2-pyridinyl)-3-prop-2-enylpiperidin-3-yl]methanol
CID 72901356
[(3R)-1-(6-cyclopropylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol
CID 97131261
2-[(3S)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 97124499
6-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 56743972
6-[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]pyridine-2-carbonitrile
CID 95720653
6-(4-acetyl-1,4-diazepan-1-yl)pyridine-2-carbonitrile
CID 64594721
6-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-2-carbonitrile
CID 97155364
(1-benzylsulfonyl-3-prop-2-enylpiperidin-3-yl)methanol
CID 72887102
6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 86282981
2-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
CID 64590131
[1-(benzenesulfonyl)-3-prop-2-enylpiperidin-3-yl]methanol
CID 72844633

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]pyridine-2-carbonitrile (CID 97124386) is 6-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]pyridine-2-carbonitrile is C=CC[C@]1(CO)CCCN(c2cccc(C#N)n2)C1.
What is the InChIKey of 6-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is QOKBEOGEBKSSAE-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-7-15(12-19)8-4-9-18(11-15)14-6-3-5-13(10-16)17-14/h2-3,5-6,19H,1,4,7-9,11-12H2/t15-/m0/s1.
What are the key properties of 6-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]pyridine-2-carbonitrile?
6-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 257.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 97124386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).