2-[1-(2-methylidenebutyl)piperidin-2-yl]ethanol

C12H23NO — CID 66038303

IUPAC2-[1-(2-methylidenebutyl)piperidin-2-yl]ethanol
SMILESC=C(CC)CN1CCCCC1CCO
InChIInChI=1S/C12H23NO/c1-3-11(2)10-13-8-5-4-6-12(13)7-9-14/h12,14H,2-10H2,1H3
InChIKeyYRDIVSLKWKXWLN-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds5

About 2-[1-(2-methylidenebutyl)piperidin-2-yl]ethanol

2-[1-(2-methylidenebutyl)piperidin-2-yl]ethanol (PubChem CID 66038303) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[1-(2-methylidenebutyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-methylidenebutyl)piperidin-2-yl]ethanol
PubChem CID66038303
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[1-(2-methylidenebutyl)piperidin-2-yl]ethanol
SMILESC=C(CC)CN1CCCCC1CCO
InChIInChI=1S/C12H23NO/c1-3-11(2)10-13-8-5-4-6-12(13)7-9-14/h12,14H,2-10H2,1H3
InChIKeyYRDIVSLKWKXWLN-UHFFFAOYSA-N
XLogP2.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884
[(2S)-1-(2-methylidenebutyl)pyrrolidin-2-yl]methanol
CID 66261614
N-methyl-1-[1-(2-methylidenebutyl)piperidin-2-yl]methanamine
CID 66044070
2-[1-(2-methylpropyl)piperidin-2-yl]ethanol
CID 62021194
2-[1-(3-methylbut-3-enyl)piperidin-2-yl]ethanol
CID 114448957
N-[[1-(2-methylidenebutyl)piperidin-2-yl]methyl]propan-1-amine
CID 66039743
2-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]ethanol
CID 79173594
2-(1-octylpiperidin-2-yl)ethanol
CID 62020097
N-butan-2-yl-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 60690066
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol
CID 114495321
2-[1-(2-methylpropyl)pyrrolidin-2-yl]ethanol
CID 117028492
3-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270202

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylidenebutyl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(2-methylidenebutyl)piperidin-2-yl]ethanol (CID 66038303) is 2-[1-(2-methylidenebutyl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(2-methylidenebutyl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(2-methylidenebutyl)piperidin-2-yl]ethanol is C=C(CC)CN1CCCCC1CCO.
What is the InChIKey of 2-[1-(2-methylidenebutyl)piperidin-2-yl]ethanol?
The InChIKey is YRDIVSLKWKXWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-11(2)10-13-8-5-4-6-12(13)7-9-14/h12,14H,2-10H2,1H3.
What are the key properties of 2-[1-(2-methylidenebutyl)piperidin-2-yl]ethanol?
2-[1-(2-methylidenebutyl)piperidin-2-yl]ethanol has a molecular weight of 197.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylidenebutyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 66038303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).