2-methyl-1-pent-4-ynylpiperidin-3-ol

C11H19NO — CID 130877964

IUPAC2-methyl-1-pent-4-ynylpiperidin-3-ol
SMILESC#CCCCN1CCCC(O)C1C
InChIInChI=1S/C11H19NO/c1-3-4-5-8-12-9-6-7-11(13)10(12)2/h1,10-11,13H,4-9H2,2H3
InChIKeySEKBDWCQUZPXNB-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.25
Rot. Bonds3

About 2-methyl-1-pent-4-ynylpiperidin-3-ol

2-methyl-1-pent-4-ynylpiperidin-3-ol (PubChem CID 130877964) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-methyl-1-pent-4-ynylpiperidin-3-ol.

Molecular Properties

Compound Name2-methyl-1-pent-4-ynylpiperidin-3-ol
PubChem CID130877964
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-methyl-1-pent-4-ynylpiperidin-3-ol
SMILESC#CCCCN1CCCC(O)C1C
InChIInChI=1S/C11H19NO/c1-3-4-5-8-12-9-6-7-11(13)10(12)2/h1,10-11,13H,4-9H2,2H3
InChIKeySEKBDWCQUZPXNB-UHFFFAOYSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(3-sulfanylpropyl)piperidin-3-ol
CID 130785480
1-pent-4-ynyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 115872657
2,6-dimethyl-1-pent-4-ynylpiperidine
CID 115873069
(2S,3R)-2-methyl-1-propylpyrrolidin-3-ol
CID 130813850
1-[(2S)-1-but-3-ynylpyrrolidin-2-yl]ethanone
CID 175636664
1-pent-4-ynylpyrrolidine
CID 82363312
6-methyl-1-pent-4-ynylpiperidine-3-carboxamide
CID 115873029
4-methoxy-1-pent-4-ynylpiperidine
CID 115872590
1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methylpiperidin-3-ol
CID 131160785
(2R)-2-methyl-1-prop-2-ynylpyrrolidine
CID 142046543
(2S,3R)-1-butyl-3-chloro-2-methylpiperidine
CID 10965290
1-butyl-3-chloro-2-methylpiperidine
CID 85348788

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pent-4-ynylpiperidin-3-ol?
The IUPAC name of 2-methyl-1-pent-4-ynylpiperidin-3-ol (CID 130877964) is 2-methyl-1-pent-4-ynylpiperidin-3-ol.
What is the SMILES notation for 2-methyl-1-pent-4-ynylpiperidin-3-ol?
The canonical SMILES for 2-methyl-1-pent-4-ynylpiperidin-3-ol is C#CCCCN1CCCC(O)C1C.
What is the InChIKey of 2-methyl-1-pent-4-ynylpiperidin-3-ol?
The InChIKey is SEKBDWCQUZPXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-4-5-8-12-9-6-7-11(13)10(12)2/h1,10-11,13H,4-9H2,2H3.
What are the key properties of 2-methyl-1-pent-4-ynylpiperidin-3-ol?
2-methyl-1-pent-4-ynylpiperidin-3-ol 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 2-methyl-1-pent-4-ynylpiperidin-3-ol is sourced from PubChem (CID 130877964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).