[1-(2-chloroprop-2-enyl)piperidin-2-yl]methanol

C9H16ClNO — CID 60685107

IUPAC[1-(2-chloroprop-2-enyl)piperidin-2-yl]methanol
SMILESC=C(Cl)CN1CCCCC1CO
InChIInChI=1S/C9H16ClNO/c1-8(10)6-11-5-3-2-4-9(11)7-12/h9,12H,1-7H2
InChIKeyZIMARODYMBYIDU-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.59
Rot. Bonds3

About [1-(2-chloroprop-2-enyl)piperidin-2-yl]methanol

[1-(2-chloroprop-2-enyl)piperidin-2-yl]methanol (PubChem CID 60685107) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is [1-(2-chloroprop-2-enyl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-chloroprop-2-enyl)piperidin-2-yl]methanol
PubChem CID60685107
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name[1-(2-chloroprop-2-enyl)piperidin-2-yl]methanol
SMILESC=C(Cl)CN1CCCCC1CO
InChIInChI=1S/C9H16ClNO/c1-8(10)6-11-5-3-2-4-9(11)7-12/h9,12H,1-7H2
InChIKeyZIMARODYMBYIDU-UHFFFAOYSA-N
XLogP1.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chloroprop-2-enyl)piperidin-2-yl]methanol?
The IUPAC name of [1-(2-chloroprop-2-enyl)piperidin-2-yl]methanol (CID 60685107) is [1-(2-chloroprop-2-enyl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(2-chloroprop-2-enyl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(2-chloroprop-2-enyl)piperidin-2-yl]methanol is C=C(Cl)CN1CCCCC1CO.
What is the InChIKey of [1-(2-chloroprop-2-enyl)piperidin-2-yl]methanol?
The InChIKey is ZIMARODYMBYIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-8(10)6-11-5-3-2-4-9(11)7-12/h9,12H,1-7H2.
What are the key properties of [1-(2-chloroprop-2-enyl)piperidin-2-yl]methanol?
[1-(2-chloroprop-2-enyl)piperidin-2-yl]methanol has a molecular weight of 189.69 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloroprop-2-enyl)piperidin-2-yl]methanol is sourced from PubChem (CID 60685107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).