(4-piperidin-4-ylcyclobut-2-en-1-yl)methanol

C10H17NO — CID 123392119

IUPAC(4-piperidin-4-ylcyclobut-2-en-1-yl)methanol
SMILESOCC1C=CC1C1CCNCC1
InChIInChI=1S/C10H17NO/c12-7-9-1-2-10(9)8-3-5-11-6-4-8/h1-2,8-12H,3-7H2
InChIKeyDBHAZSLMZTZNHX-UHFFFAOYSA-N
MW167.25 g/mol
LogP0.78
Rot. Bonds2

About (4-piperidin-4-ylcyclobut-2-en-1-yl)methanol

(4-piperidin-4-ylcyclobut-2-en-1-yl)methanol (PubChem CID 123392119) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (4-piperidin-4-ylcyclobut-2-en-1-yl)methanol.

Molecular Properties

Compound Name(4-piperidin-4-ylcyclobut-2-en-1-yl)methanol
PubChem CID123392119
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(4-piperidin-4-ylcyclobut-2-en-1-yl)methanol
SMILESOCC1C=CC1C1CCNCC1
InChIInChI=1S/C10H17NO/c12-7-9-1-2-10(9)8-3-5-11-6-4-8/h1-2,8-12H,3-7H2
InChIKeyDBHAZSLMZTZNHX-UHFFFAOYSA-N
XLogP0.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.78
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-[(3R,4S)-3-ethenylpiperidin-4-yl]ethan-1-ol
CID 22825905
(4-Cyclohex-2-en-1-ylpiperidin-4-yl)methanol
CID 68083440
1,2,3,4,4a,5,8,8a-Octahydroquinolin-5-ylmethanol
CID 68199886
1,2,3,4,4a,5,8,8a-Octahydroquinolin-4-ylmethanol
CID 68199935
1,2,3,4,4a,5,8,8a-Octahydroquinolin-8-ylmethanol
CID 68213276
[(4aR)-1,2,3,4,4a,5,8,8a-octahydroquinolin-4-yl]methanol
CID 68213287
2-[(3R)-3-ethenylpiperidin-4-yl]ethanol
CID 70502413
(Cyclopropylamino)-(6-methylcyclohex-2-en-1-yl)methanol
CID 89017600
3-Piperidin-4-ylbut-3-en-1-ol
CID 117268286
(2S,5R,6S)-5-methyl-6-[(Z)-prop-1-enyl]piperidin-2-ol
CID 118074672
(S)-butylamino(cyclohex-3-en-1-yl)methanol
CID 118933791
Cyclohex-2-en-1-yl-(cyclohexylamino)methanol
CID 139564743

Frequently Asked Questions

What is the IUPAC name of (4-piperidin-4-ylcyclobut-2-en-1-yl)methanol?
The IUPAC name of (4-piperidin-4-ylcyclobut-2-en-1-yl)methanol (CID 123392119) is (4-piperidin-4-ylcyclobut-2-en-1-yl)methanol.
What is the SMILES notation for (4-piperidin-4-ylcyclobut-2-en-1-yl)methanol?
The canonical SMILES for (4-piperidin-4-ylcyclobut-2-en-1-yl)methanol is OCC1C=CC1C1CCNCC1.
What is the InChIKey of (4-piperidin-4-ylcyclobut-2-en-1-yl)methanol?
The InChIKey is DBHAZSLMZTZNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c12-7-9-1-2-10(9)8-3-5-11-6-4-8/h1-2,8-12H,3-7H2.
What are the key properties of (4-piperidin-4-ylcyclobut-2-en-1-yl)methanol?
(4-piperidin-4-ylcyclobut-2-en-1-yl)methanol has a molecular weight of 167.25 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-4-ylcyclobut-2-en-1-yl)methanol is sourced from PubChem (CID 123392119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).