chloro-(1-methylpiperidin-4-yl)methanol

C7H14ClNO — CID 149395826

IUPACchloro-(1-methylpiperidin-4-yl)methanol
SMILESCN1CCC(C(O)Cl)CC1
InChIInChI=1S/C7H14ClNO/c1-9-4-2-6(3-5-9)7(8)10/h6-7,10H,2-5H2,1H3
InChIKeyXTVALADQSBRENF-UHFFFAOYSA-N
MW163.65 g/mol
LogP0.89
Rot. Bonds1

About chloro-(1-methylpiperidin-4-yl)methanol

chloro-(1-methylpiperidin-4-yl)methanol (PubChem CID 149395826) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is chloro-(1-methylpiperidin-4-yl)methanol.

Molecular Properties

Compound Namechloro-(1-methylpiperidin-4-yl)methanol
PubChem CID149395826
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Namechloro-(1-methylpiperidin-4-yl)methanol
SMILESCN1CCC(C(O)Cl)CC1
InChIInChI=1S/C7H14ClNO/c1-9-4-2-6(3-5-9)7(8)10/h6-7,10H,2-5H2,1H3
InChIKeyXTVALADQSBRENF-UHFFFAOYSA-N
XLogP0.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 50.89
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 chloro-(1-methylpiperidin-4-yl)methanol?
The IUPAC name of chloro-(1-methylpiperidin-4-yl)methanol (CID 149395826) is chloro-(1-methylpiperidin-4-yl)methanol.
What is the SMILES notation for chloro-(1-methylpiperidin-4-yl)methanol?
The canonical SMILES for chloro-(1-methylpiperidin-4-yl)methanol is CN1CCC(C(O)Cl)CC1.
What is the InChIKey of chloro-(1-methylpiperidin-4-yl)methanol?
The InChIKey is XTVALADQSBRENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO/c1-9-4-2-6(3-5-9)7(8)10/h6-7,10H,2-5H2,1H3.
What are the key properties of chloro-(1-methylpiperidin-4-yl)methanol?
chloro-(1-methylpiperidin-4-yl)methanol has a molecular weight of 163.65 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(1-methylpiperidin-4-yl)methanol is sourced from PubChem (CID 149395826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).