2-(Piperidin-4-ylidene)ethan-1-ol

C7H13NO — CID 18695533

IUPAC2-piperidin-4-ylideneethanol
SMILESC1CNCCC1=CCO
InChIInChI=1S/C7H13NO/c9-6-3-7-1-4-8-5-2-7/h3,8-9H,1-2,4-6H2
InChIKeySMGCRQWNSNABKJ-UHFFFAOYSA-N
MW127.18 g/mol
LogP-0.50
Rot. Bonds1

About 2-(Piperidin-4-ylidene)ethan-1-ol

2-(Piperidin-4-ylidene)ethan-1-ol (PubChem CID 18695533) has the molecular formula C7H13NO and a molecular weight of 127.18 g/mol. Its IUPAC name is 2-piperidin-4-ylideneethanol.

Molecular Properties

Compound Name2-(Piperidin-4-ylidene)ethan-1-ol
PubChem CID18695533
Molecular FormulaC7H13NO
Molecular Weight127.18 g/mol
Exact Mass127.10
IUPAC Name2-piperidin-4-ylideneethanol
SMILESC1CNCCC1=CCO
InChIInChI=1S/C7H13NO/c9-6-3-7-1-4-8-5-2-7/h3,8-9H,1-2,4-6H2
InChIKeySMGCRQWNSNABKJ-UHFFFAOYSA-N
XLogP-0.50
TPSA32.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity101

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.18
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Fluoro-2-(piperidin-3-ylidene)ethan-1-ol
CID 68524028
(2E)-2-Fluoro-2-piperidin-3-ylideneethanol
CID 68525091
2-Fluoro-2-piperidin-4-ylideneethanol
CID 68690505
2-fluoro-2-(piperidin-3-ylidene)ethan-1-ol, Mixture of isomers
CID 68524035
1,2,3,6-Tetrahydropyridin-5-ylmethanol
CID 15932076
2-(1-Methylpiperidin-4-ylidene)ethanol
CID 18695573
(1,2,3,6-Tetrahydropyridin-4-yl)methanol
CID 18997135
2-Piperidin-2-ylideneethanol
CID 67807310
2-Piperidin-4-ylidenepropan-1-ol
CID 68523339
4-Methyl-2-piperidin-4-ylidenepent-4-en-1-ol
CID 89206023
(2E)-2-piperidin-3-ylideneethanol
CID 115011142
(2Z)-2-(2-methylpiperidin-4-ylidene)ethanol
CID 118372437

Frequently Asked Questions

What is the IUPAC name of 2-(Piperidin-4-ylidene)ethan-1-ol?
The IUPAC name of 2-(Piperidin-4-ylidene)ethan-1-ol (CID 18695533) is 2-piperidin-4-ylideneethanol.
What is the SMILES notation for 2-(Piperidin-4-ylidene)ethan-1-ol?
The canonical SMILES for 2-(Piperidin-4-ylidene)ethan-1-ol is C1CNCCC1=CCO.
What is the InChIKey of 2-(Piperidin-4-ylidene)ethan-1-ol?
The InChIKey is SMGCRQWNSNABKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c9-6-3-7-1-4-8-5-2-7/h3,8-9H,1-2,4-6H2.
What are the key properties of 2-(Piperidin-4-ylidene)ethan-1-ol?
2-(Piperidin-4-ylidene)ethan-1-ol has a molecular weight of 127.18 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(Piperidin-4-ylidene)ethan-1-ol is sourced from PubChem (CID 18695533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).