(4-prop-2-enylpiperidin-4-yl)methanol

C9H17NO — CID 59312012

IUPAC(4-prop-2-enylpiperidin-4-yl)methanol
SMILESC=CCC1(CO)CCNCC1
InChIInChI=1S/C9H17NO/c1-2-3-9(8-11)4-6-10-7-5-9/h2,10-11H,1,3-8H2
InChIKeyKMUHWACMVZTXCY-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.92
Rot. Bonds3

About (4-prop-2-enylpiperidin-4-yl)methanol

(4-prop-2-enylpiperidin-4-yl)methanol (PubChem CID 59312012) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (4-prop-2-enylpiperidin-4-yl)methanol.

Molecular Properties

Compound Name(4-prop-2-enylpiperidin-4-yl)methanol
PubChem CID59312012
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(4-prop-2-enylpiperidin-4-yl)methanol
SMILESC=CCC1(CO)CCNCC1
InChIInChI=1S/C9H17NO/c1-2-3-9(8-11)4-6-10-7-5-9/h2,10-11H,1,3-8H2
InChIKeyKMUHWACMVZTXCY-UHFFFAOYSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.92
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-Ethenylpiperidin-4-yl)methanol
CID 146049241
1-(4-Piperidyl)-2-propenol
CID 12381699
4-[[(1S)-cyclohex-3-en-1-yl]methylamino]-3,3-dimethylbutan-1-ol
CID 97240121
2-[(3R,4S)-3-ethenylpiperidin-4-yl]ethan-1-ol
CID 22825905
(1-Phosphanyl-4-prop-2-enylpiperidin-4-yl)methanol
CID 58683612
Lanthanum;(4-prop-2-enylpiperidin-1-id-4-yl)methanol
CID 59312011
3-Piperidin-4-ylprop-1-en-1-ol
CID 70137353
(E)-3-piperidin-4-ylprop-1-en-1-ol
CID 70166426
2-[(3R)-3-ethenylpiperidin-4-yl]ethanol
CID 70502413
1-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol
CID 70502414
4-Prop-2-enylpiperidin-3-ol
CID 89139617
1-(4-Prop-2-enylpiperidin-4-yl)prop-2-en-1-ol
CID 124139718

Frequently Asked Questions

What is the IUPAC name of (4-prop-2-enylpiperidin-4-yl)methanol?
The IUPAC name of (4-prop-2-enylpiperidin-4-yl)methanol (CID 59312012) is (4-prop-2-enylpiperidin-4-yl)methanol.
What is the SMILES notation for (4-prop-2-enylpiperidin-4-yl)methanol?
The canonical SMILES for (4-prop-2-enylpiperidin-4-yl)methanol is C=CCC1(CO)CCNCC1.
What is the InChIKey of (4-prop-2-enylpiperidin-4-yl)methanol?
The InChIKey is KMUHWACMVZTXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-3-9(8-11)4-6-10-7-5-9/h2,10-11H,1,3-8H2.
What are the key properties of (4-prop-2-enylpiperidin-4-yl)methanol?
(4-prop-2-enylpiperidin-4-yl)methanol has a molecular weight of 155.24 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-2-enylpiperidin-4-yl)methanol is sourced from PubChem (CID 59312012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).