(1,4,4-trimethylpiperidin-3-yl)methanol

C9H19NO — CID 117025806

IUPAC(1,4,4-trimethylpiperidin-3-yl)methanol
SMILESCN1CCC(C)(C)C(CO)C1
InChIInChI=1S/C9H19NO/c1-9(2)4-5-10(3)6-8(9)7-11/h8,11H,4-7H2,1-3H3
InChIKeyIACZFESSKBNCIR-UHFFFAOYSA-N
MW157.26 g/mol
LogP0.96
Rot. Bonds1

About (1,4,4-trimethylpiperidin-3-yl)methanol

(1,4,4-trimethylpiperidin-3-yl)methanol (PubChem CID 117025806) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (1,4,4-trimethylpiperidin-3-yl)methanol.

Molecular Properties

Compound Name(1,4,4-trimethylpiperidin-3-yl)methanol
PubChem CID117025806
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(1,4,4-trimethylpiperidin-3-yl)methanol
SMILESCN1CCC(C)(C)C(CO)C1
InChIInChI=1S/C9H19NO/c1-9(2)4-5-10(3)6-8(9)7-11/h8,11H,4-7H2,1-3H3
InChIKeyIACZFESSKBNCIR-UHFFFAOYSA-N
XLogP0.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-2,2-dimethylcyclobutyl]methanol
CID 129404662
[4,4-dimethyl-1-(2-propan-2-ylphenyl)piperidin-3-yl]methanol
CID 117025849
[4,4-dimethyl-1-(2-methylphenyl)piperidin-3-yl]methanol
CID 117025837
(3S,4R)-4-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol
CID 166167558
[1-(hydroxymethyl)cyclopropyl]-(1-methylpyrrolidin-3-yl)methanone
CID 116921208
[1-[(2,2-dimethylcyclohexyl)methyl]azetidin-3-yl]methanol
CID 107178502
3-(1-hydroxyethyl)-1,4-dimethylpiperidin-4-ol
CID 130123561
(1,4-dimethylpiperidin-4-yl)methanol;ethane
CID 142863096
(1,2,2-trimethylpiperidin-3-yl)methanol
CID 117019756
(5-methyl-5-azaspiro[2.3]hexan-2-yl)methanol
CID 84647955
[4-(cyclopropylmethyl)-1-methylpiperidin-4-yl]methanol
CID 70641658
1-(3-amino-4,4-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-3-yl)ethanone
CID 115276891

Frequently Asked Questions

What is the IUPAC name of (1,4,4-trimethylpiperidin-3-yl)methanol?
The IUPAC name of (1,4,4-trimethylpiperidin-3-yl)methanol (CID 117025806) is (1,4,4-trimethylpiperidin-3-yl)methanol.
What is the SMILES notation for (1,4,4-trimethylpiperidin-3-yl)methanol?
The canonical SMILES for (1,4,4-trimethylpiperidin-3-yl)methanol is CN1CCC(C)(C)C(CO)C1.
What is the InChIKey of (1,4,4-trimethylpiperidin-3-yl)methanol?
The InChIKey is IACZFESSKBNCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2)4-5-10(3)6-8(9)7-11/h8,11H,4-7H2,1-3H3.
What are the key properties of (1,4,4-trimethylpiperidin-3-yl)methanol?
(1,4,4-trimethylpiperidin-3-yl)methanol has a molecular weight of 157.26 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4,4-trimethylpiperidin-3-yl)methanol is sourced from PubChem (CID 117025806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).