1-[2-(chloromethyl)prop-2-enyl]-3-methylpiperidin-3-ol

C10H18ClNO — CID 103067975

IUPAC1-[2-(chloromethyl)prop-2-enyl]-3-methylpiperidin-3-ol
SMILESC=C(CCl)CN1CCCC(C)(O)C1
InChIInChI=1S/C10H18ClNO/c1-9(6-11)7-12-5-3-4-10(2,13)8-12/h13H,1,3-8H2,2H3
InChIKeyQXXGAROYPWVLJW-UHFFFAOYSA-N
MW203.71 g/mol
LogP1.63
Rot. Bonds3

About 1-[2-(chloromethyl)prop-2-enyl]-3-methylpiperidin-3-ol

1-[2-(chloromethyl)prop-2-enyl]-3-methylpiperidin-3-ol (PubChem CID 103067975) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 1-[2-(chloromethyl)prop-2-enyl]-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[2-(chloromethyl)prop-2-enyl]-3-methylpiperidin-3-ol
PubChem CID103067975
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name1-[2-(chloromethyl)prop-2-enyl]-3-methylpiperidin-3-ol
SMILESC=C(CCl)CN1CCCC(C)(O)C1
InChIInChI=1S/C10H18ClNO/c1-9(6-11)7-12-5-3-4-10(2,13)8-12/h13H,1,3-8H2,2H3
InChIKeyQXXGAROYPWVLJW-UHFFFAOYSA-N
XLogP1.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)prop-2-enyl]-3-methylpiperidin-3-ol?
The IUPAC name of 1-[2-(chloromethyl)prop-2-enyl]-3-methylpiperidin-3-ol (CID 103067975) is 1-[2-(chloromethyl)prop-2-enyl]-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-[2-(chloromethyl)prop-2-enyl]-3-methylpiperidin-3-ol?
The canonical SMILES for 1-[2-(chloromethyl)prop-2-enyl]-3-methylpiperidin-3-ol is C=C(CCl)CN1CCCC(C)(O)C1.
What is the InChIKey of 1-[2-(chloromethyl)prop-2-enyl]-3-methylpiperidin-3-ol?
The InChIKey is QXXGAROYPWVLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-9(6-11)7-12-5-3-4-10(2,13)8-12/h13H,1,3-8H2,2H3.
What are the key properties of 1-[2-(chloromethyl)prop-2-enyl]-3-methylpiperidin-3-ol?
1-[2-(chloromethyl)prop-2-enyl]-3-methylpiperidin-3-ol has a molecular weight of 203.71 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)prop-2-enyl]-3-methylpiperidin-3-ol is sourced from PubChem (CID 103067975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).