(E)-3-(6-methylpiperidin-2-yl)prop-2-en-1-ol

C9H17NO — CID 14394712

IUPAC(E)-3-(6-methylpiperidin-2-yl)prop-2-en-1-ol
SMILESCC1CCCC(/C=C/CO)N1
InChIInChI=1S/C9H17NO/c1-8-4-2-5-9(10-8)6-3-7-11/h3,6,8-11H,2,4-5,7H2,1H3/b6-3+
InChIKeySWMFQTNUKXRGHE-ZZXKWVIFSA-N
MW155.24 g/mol
LogP1.07
Rot. Bonds2

About (E)-3-(6-methylpiperidin-2-yl)prop-2-en-1-ol

(E)-3-(6-methylpiperidin-2-yl)prop-2-en-1-ol (PubChem CID 14394712) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-3-(6-methylpiperidin-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(6-methylpiperidin-2-yl)prop-2-en-1-ol
PubChem CID14394712
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E)-3-(6-methylpiperidin-2-yl)prop-2-en-1-ol
SMILESCC1CCCC(/C=C/CO)N1
InChIInChI=1S/C9H17NO/c1-8-4-2-5-9(10-8)6-3-7-11/h3,6,8-11H,2,4-5,7H2,1H3/b6-3+
InChIKeySWMFQTNUKXRGHE-ZZXKWVIFSA-N
XLogP1.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-methylpiperidin-2-yl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(6-methylpiperidin-2-yl)prop-2-en-1-ol (CID 14394712) is (E)-3-(6-methylpiperidin-2-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(6-methylpiperidin-2-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(6-methylpiperidin-2-yl)prop-2-en-1-ol is CC1CCCC(/C=C/CO)N1.
What is the InChIKey of (E)-3-(6-methylpiperidin-2-yl)prop-2-en-1-ol?
The InChIKey is SWMFQTNUKXRGHE-ZZXKWVIFSA-N. The full InChI is InChI=1S/C9H17NO/c1-8-4-2-5-9(10-8)6-3-7-11/h3,6,8-11H,2,4-5,7H2,1H3/b6-3+.
What are the key properties of (E)-3-(6-methylpiperidin-2-yl)prop-2-en-1-ol?
(E)-3-(6-methylpiperidin-2-yl)prop-2-en-1-ol has a molecular weight of 155.24 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-methylpiperidin-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 14394712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).