(3-ethylidenepiperidin-4-yl)methanol

C8H15NO — CID 77395353

IUPAC(3-ethylidenepiperidin-4-yl)methanol
SMILESCC=C1CNCCC1CO
InChIInChI=1S/C8H15NO/c1-2-7-5-9-4-3-8(7)6-10/h2,8-10H,3-6H2,1H3
InChIKeyBXYIJQYNPVNIHT-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.53
Rot. Bonds1

About (3-ethylidenepiperidin-4-yl)methanol

(3-ethylidenepiperidin-4-yl)methanol (PubChem CID 77395353) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3-ethylidenepiperidin-4-yl)methanol.

Molecular Properties

Compound Name(3-ethylidenepiperidin-4-yl)methanol
PubChem CID77395353
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3-ethylidenepiperidin-4-yl)methanol
SMILESCC=C1CNCCC1CO
InChIInChI=1S/C8H15NO/c1-2-7-5-9-4-3-8(7)6-10/h2,8-10H,3-6H2,1H3
InChIKeyBXYIJQYNPVNIHT-UHFFFAOYSA-N
XLogP0.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.53
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

[4-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol
CID 142015032
1,2,3,4,4a,5,6,7-Octahydroisoquinolin-5-ol
CID 54385647
[(3E,4S)-3-ethylidenepiperidin-4-yl]methanol
CID 68026897
(E,5S)-2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)hept-2-en-1-ol
CID 68213288
(Z)-2-methyl-7-(1,2,3,6-tetrahydropyridin-4-yl)hept-4-en-1-ol
CID 68213313
(E)-1-piperidin-4-ylprop-1-en-1-ol
CID 89733768
4-Hexa-1,3,5-trien-3-ylpiperidin-3-ol
CID 123244966
(Z,2S)-4-(ethylaminomethyl)hex-4-en-2-ol
CID 138614769
ethane;(3S,4S)-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperidin-3-ol
CID 141884083
ethane;[4-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol
CID 142015031
(Z)-2-methyl-3-piperidin-4-ylprop-2-en-1-ol
CID 142325174
ethane;[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol
CID 143563754

Frequently Asked Questions

What is the IUPAC name of (3-ethylidenepiperidin-4-yl)methanol?
The IUPAC name of (3-ethylidenepiperidin-4-yl)methanol (CID 77395353) is (3-ethylidenepiperidin-4-yl)methanol.
What is the SMILES notation for (3-ethylidenepiperidin-4-yl)methanol?
The canonical SMILES for (3-ethylidenepiperidin-4-yl)methanol is CC=C1CNCCC1CO.
What is the InChIKey of (3-ethylidenepiperidin-4-yl)methanol?
The InChIKey is BXYIJQYNPVNIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-7-5-9-4-3-8(7)6-10/h2,8-10H,3-6H2,1H3.
What are the key properties of (3-ethylidenepiperidin-4-yl)methanol?
(3-ethylidenepiperidin-4-yl)methanol has a molecular weight of 141.21 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylidenepiperidin-4-yl)methanol is sourced from PubChem (CID 77395353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).