[(2S)-1-pent-3-ynylpiperidin-2-yl]methanol

C11H19NO — CID 130709560

IUPAC[(2S)-1-pent-3-ynylpiperidin-2-yl]methanol
SMILESCC#CCCN1CCCC[C@H]1CO
InChIInChI=1S/C11H19NO/c1-2-3-5-8-12-9-6-4-7-11(12)10-13/h11,13H,4-10H2,1H3/t11-/m0/s1
InChIKeyPZYQNSWNEPKHMW-NSHDSACASA-N
MW181.28 g/mol
LogP1.25
Rot. Bonds3

About [(2S)-1-pent-3-ynylpiperidin-2-yl]methanol

[(2S)-1-pent-3-ynylpiperidin-2-yl]methanol (PubChem CID 130709560) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is [(2S)-1-pent-3-ynylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-pent-3-ynylpiperidin-2-yl]methanol
PubChem CID130709560
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name[(2S)-1-pent-3-ynylpiperidin-2-yl]methanol
SMILESCC#CCCN1CCCC[C@H]1CO
InChIInChI=1S/C11H19NO/c1-2-3-5-8-12-9-6-4-7-11(12)10-13/h11,13H,4-10H2,1H3/t11-/m0/s1
InChIKeyPZYQNSWNEPKHMW-NSHDSACASA-N
XLogP1.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-pent-3-ynylpiperidin-2-yl)ethanone
CID 104807764
3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile
CID 45088390
tert-butyl N-[[(2S)-1-pent-3-ynylpiperidin-2-yl]methyl]carbamate
CID 97308407
3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide
CID 21144774
4-[2-(hydroxymethyl)azepan-1-yl]butan-2-ol
CID 116636768
(1-ethylazepan-2-yl)methanol
CID 2849413
ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 143249605
[(2R)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-yl]methanol
CID 66262417
[1-(3-chloropropyl)piperidin-2-yl]methanol
CID 61407786
[1-(2-cyclohexylethyl)azepan-2-yl]methanol
CID 114192428
[1-(3-methylsulfanylpropyl)piperidin-2-yl]methanol
CID 115665425
4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65251751

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-pent-3-ynylpiperidin-2-yl]methanol?
The IUPAC name of [(2S)-1-pent-3-ynylpiperidin-2-yl]methanol (CID 130709560) is [(2S)-1-pent-3-ynylpiperidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-pent-3-ynylpiperidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-pent-3-ynylpiperidin-2-yl]methanol is CC#CCCN1CCCC[C@H]1CO.
What is the InChIKey of [(2S)-1-pent-3-ynylpiperidin-2-yl]methanol?
The InChIKey is PZYQNSWNEPKHMW-NSHDSACASA-N. The full InChI is InChI=1S/C11H19NO/c1-2-3-5-8-12-9-6-4-7-11(12)10-13/h11,13H,4-10H2,1H3/t11-/m0/s1.
What are the key properties of [(2S)-1-pent-3-ynylpiperidin-2-yl]methanol?
[(2S)-1-pent-3-ynylpiperidin-2-yl]methanol has a molecular weight of 181.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-pent-3-ynylpiperidin-2-yl]methanol is sourced from PubChem (CID 130709560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).