1,2,5-trimethyl-4-prop-2-ynylpiperidin-4-ol

C11H19NO — CID 12689074

IUPAC1,2,5-trimethyl-4-prop-2-ynylpiperidin-4-ol
SMILESC#CCC1(O)CC(C)N(C)CC1C
InChIInChI=1S/C11H19NO/c1-5-6-11(13)7-10(3)12(4)8-9(11)2/h1,9-10,13H,6-8H2,2-4H3
InChIKeyWOHBBBIZFBBDDA-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.10
Rot. Bonds1

About 1,2,5-trimethyl-4-prop-2-ynylpiperidin-4-ol

1,2,5-trimethyl-4-prop-2-ynylpiperidin-4-ol (PubChem CID 12689074) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1,2,5-trimethyl-4-prop-2-ynylpiperidin-4-ol.

Molecular Properties

Compound Name1,2,5-trimethyl-4-prop-2-ynylpiperidin-4-ol
PubChem CID12689074
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1,2,5-trimethyl-4-prop-2-ynylpiperidin-4-ol
SMILESC#CCC1(O)CC(C)N(C)CC1C
InChIInChI=1S/C11H19NO/c1-5-6-11(13)7-10(3)12(4)8-9(11)2/h1,9-10,13H,6-8H2,2-4H3
InChIKeyWOHBBBIZFBBDDA-UHFFFAOYSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.10
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

(2S,4S,5R)-4-ethyl-1,2,5-trimethylpiperidin-4-ol
CID 6983586
(2R,4S,5S)-4-(2-aminoethyl)-1,2,5-trimethylpiperidin-4-ol
CID 98110141
1,5-dimethyl-3-prop-2-ynylpyrrolidin-3-ol
CID 81468643
(2S,4S,5S)-4-[2-[(2R,4S,5R)-4-hydroxy-1,2,5-trimethylpiperidin-4-yl]ethynyl]-1,2,5-trimethylpiperidin-4-ol
CID 11897115
(2S,4S,5S)-1,2,5-trimethyl-4-[(4-methylphenyl)methyl]piperidin-4-ol
CID 11871665
2,4,4-trimethyl-1-prop-2-ynylcyclohexan-1-ol
CID 81314692
(2R,4S,5S)-4-[(2,4-dimethylphenyl)methyl]-1,2,5-trimethylpiperidin-4-ol
CID 7007076
2,4-dimethyl-1-prop-2-ynylcyclohexan-1-ol
CID 64755610
1,2,5-trimethyl-4-(2-naphthalen-1-ylethyl)piperidin-4-ol
CID 52943448
(2S,6S)-4-ethynyl-1,2,6-trimethylpiperidin-4-ol
CID 7032041
(2S,4S,5R)-4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]-1,2,5-trimethylpiperidin-4-ol
CID 7358544
(2R,4R,5R)-4-dimethoxyphosphoryl-1,2,5-trimethylpiperidin-4-ol
CID 51412260

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-4-prop-2-ynylpiperidin-4-ol?
The IUPAC name of 1,2,5-trimethyl-4-prop-2-ynylpiperidin-4-ol (CID 12689074) is 1,2,5-trimethyl-4-prop-2-ynylpiperidin-4-ol.
What is the SMILES notation for 1,2,5-trimethyl-4-prop-2-ynylpiperidin-4-ol?
The canonical SMILES for 1,2,5-trimethyl-4-prop-2-ynylpiperidin-4-ol is C#CCC1(O)CC(C)N(C)CC1C.
What is the InChIKey of 1,2,5-trimethyl-4-prop-2-ynylpiperidin-4-ol?
The InChIKey is WOHBBBIZFBBDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-6-11(13)7-10(3)12(4)8-9(11)2/h1,9-10,13H,6-8H2,2-4H3.
What are the key properties of 1,2,5-trimethyl-4-prop-2-ynylpiperidin-4-ol?
1,2,5-trimethyl-4-prop-2-ynylpiperidin-4-ol has a molecular weight of 181.28 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-4-prop-2-ynylpiperidin-4-ol is sourced from PubChem (CID 12689074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).