(2E)-2-(1-chloro-2-methylpiperidin-4-ylidene)ethanol

C8H14ClNO — CID 130387510

IUPAC(2E)-2-(1-chloro-2-methylpiperidin-4-ylidene)ethanol
SMILESCC1C/C(=C/CO)CCN1Cl
InChIInChI=1S/C8H14ClNO/c1-7-6-8(3-5-11)2-4-10(7)9/h3,7,11H,2,4-6H2,1H3/b8-3+
InChIKeyBCXMLXFIAKFSTH-FPYGCLRLSA-N
MW175.66 g/mol
LogP1.54
Rot. Bonds1

About (2E)-2-(1-chloro-2-methylpiperidin-4-ylidene)ethanol

(2E)-2-(1-chloro-2-methylpiperidin-4-ylidene)ethanol (PubChem CID 130387510) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is (2E)-2-(1-chloro-2-methylpiperidin-4-ylidene)ethanol.

Molecular Properties

Compound Name(2E)-2-(1-chloro-2-methylpiperidin-4-ylidene)ethanol
PubChem CID130387510
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name(2E)-2-(1-chloro-2-methylpiperidin-4-ylidene)ethanol
SMILESCC1C/C(=C/CO)CCN1Cl
InChIInChI=1S/C8H14ClNO/c1-7-6-8(3-5-11)2-4-10(7)9/h3,7,11H,2,4-6H2,1H3/b8-3+
InChIKeyBCXMLXFIAKFSTH-FPYGCLRLSA-N
XLogP1.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(1-chloro-2-methylpiperidin-4-ylidene)ethanol?
The IUPAC name of (2E)-2-(1-chloro-2-methylpiperidin-4-ylidene)ethanol (CID 130387510) is (2E)-2-(1-chloro-2-methylpiperidin-4-ylidene)ethanol.
What is the SMILES notation for (2E)-2-(1-chloro-2-methylpiperidin-4-ylidene)ethanol?
The canonical SMILES for (2E)-2-(1-chloro-2-methylpiperidin-4-ylidene)ethanol is CC1C/C(=C/CO)CCN1Cl.
What is the InChIKey of (2E)-2-(1-chloro-2-methylpiperidin-4-ylidene)ethanol?
The InChIKey is BCXMLXFIAKFSTH-FPYGCLRLSA-N. The full InChI is InChI=1S/C8H14ClNO/c1-7-6-8(3-5-11)2-4-10(7)9/h3,7,11H,2,4-6H2,1H3/b8-3+.
What are the key properties of (2E)-2-(1-chloro-2-methylpiperidin-4-ylidene)ethanol?
(2E)-2-(1-chloro-2-methylpiperidin-4-ylidene)ethanol has a molecular weight of 175.66 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1-chloro-2-methylpiperidin-4-ylidene)ethanol is sourced from PubChem (CID 130387510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).