[1-(2-chloroethyl)piperidin-2-yl]methanol

C8H16ClNO — CID 61407785

IUPAC[1-(2-chloroethyl)piperidin-2-yl]methanol
SMILESOCC1CCCCN1CCCl
InChIInChI=1S/C8H16ClNO/c9-4-6-10-5-2-1-3-8(10)7-11/h8,11H,1-7H2
InChIKeyYIFYIBBMYLSFLB-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.07
Rot. Bonds3

About [1-(2-chloroethyl)piperidin-2-yl]methanol

[1-(2-chloroethyl)piperidin-2-yl]methanol (PubChem CID 61407785) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is [1-(2-chloroethyl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-chloroethyl)piperidin-2-yl]methanol
PubChem CID61407785
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name[1-(2-chloroethyl)piperidin-2-yl]methanol
SMILESOCC1CCCCN1CCCl
InChIInChI=1S/C8H16ClNO/c9-4-6-10-5-2-1-3-8(10)7-11/h8,11H,1-7H2
InChIKeyYIFYIBBMYLSFLB-UHFFFAOYSA-N
XLogP1.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chloroethyl)piperidin-2-yl]methanol?
The IUPAC name of [1-(2-chloroethyl)piperidin-2-yl]methanol (CID 61407785) is [1-(2-chloroethyl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(2-chloroethyl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(2-chloroethyl)piperidin-2-yl]methanol is OCC1CCCCN1CCCl.
What is the InChIKey of [1-(2-chloroethyl)piperidin-2-yl]methanol?
The InChIKey is YIFYIBBMYLSFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c9-4-6-10-5-2-1-3-8(10)7-11/h8,11H,1-7H2.
What are the key properties of [1-(2-chloroethyl)piperidin-2-yl]methanol?
[1-(2-chloroethyl)piperidin-2-yl]methanol has a molecular weight of 177.67 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloroethyl)piperidin-2-yl]methanol is sourced from PubChem (CID 61407785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).