1-(3-chloropropyl)-4-methylpiperidin-4-ol

C9H18ClNO — CID 18449830

IUPAC1-(3-chloropropyl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(CCCCl)CC1
InChIInChI=1S/C9H18ClNO/c1-9(12)3-7-11(8-4-9)6-2-5-10/h12H,2-8H2,1H3
InChIKeyUPHWDLLLLHEMGH-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.46
Rot. Bonds3

About 1-(3-chloropropyl)-4-methylpiperidin-4-ol

1-(3-chloropropyl)-4-methylpiperidin-4-ol (PubChem CID 18449830) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 1-(3-chloropropyl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(3-chloropropyl)-4-methylpiperidin-4-ol
PubChem CID18449830
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name1-(3-chloropropyl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(CCCCl)CC1
InChIInChI=1S/C9H18ClNO/c1-9(12)3-7-11(8-4-9)6-2-5-10/h12H,2-8H2,1H3
InChIKeyUPHWDLLLLHEMGH-UHFFFAOYSA-N
XLogP1.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.46
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-(3-chloropropyl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(3-chloropropyl)-4-methylpiperidin-4-ol (CID 18449830) is 1-(3-chloropropyl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(3-chloropropyl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(3-chloropropyl)-4-methylpiperidin-4-ol is CC1(O)CCN(CCCCl)CC1.
What is the InChIKey of 1-(3-chloropropyl)-4-methylpiperidin-4-ol?
The InChIKey is UPHWDLLLLHEMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-9(12)3-7-11(8-4-9)6-2-5-10/h12H,2-8H2,1H3.
What are the key properties of 1-(3-chloropropyl)-4-methylpiperidin-4-ol?
1-(3-chloropropyl)-4-methylpiperidin-4-ol has a molecular weight of 191.70 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 18449830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).