1-(3-chloro-2-methylprop-2-enyl)-4-methylpiperidin-4-ol

C10H18ClNO — CID 106439879

IUPAC1-(3-chloro-2-methylprop-2-enyl)-4-methylpiperidin-4-ol
SMILESCC(=CCl)CN1CCC(C)(O)CC1
InChIInChI=1S/C10H18ClNO/c1-9(7-11)8-12-5-3-10(2,13)4-6-12/h7,13H,3-6,8H2,1-2H3
InChIKeyZQJZBUPQXQJAQQ-UHFFFAOYSA-N
MW203.71 g/mol
LogP1.98
Rot. Bonds2

About 1-(3-chloro-2-methylprop-2-enyl)-4-methylpiperidin-4-ol

1-(3-chloro-2-methylprop-2-enyl)-4-methylpiperidin-4-ol (PubChem CID 106439879) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 1-(3-chloro-2-methylprop-2-enyl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(3-chloro-2-methylprop-2-enyl)-4-methylpiperidin-4-ol
PubChem CID106439879
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name1-(3-chloro-2-methylprop-2-enyl)-4-methylpiperidin-4-ol
SMILESCC(=CCl)CN1CCC(C)(O)CC1
InChIInChI=1S/C10H18ClNO/c1-9(7-11)8-12-5-3-10(2,13)4-6-12/h7,13H,3-6,8H2,1-2H3
InChIKeyZQJZBUPQXQJAQQ-UHFFFAOYSA-N
XLogP1.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Chloroethyl)-4-methylpiperidin-4-ol
CID 18449828
1-(3-Chloropropyl)-4-methylpiperidin-4-ol
CID 18449830
4-Methyl-1-(2-methylprop-2-enyl)piperidin-4-ol
CID 88974809
4-Methyl-1-(2-methylbut-2-enyl)piperidin-4-ol
CID 123270802
4-Methyl-1-(3-methylbut-2-enyl)piperidin-4-ol
CID 80702235
1-(2-Chloroprop-2-enyl)-4-methylpiperidin-4-ol
CID 80702777
1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-4-ol
CID 80706701
1-(2,3-Dichloroprop-2-enyl)-4-methylpiperidin-4-ol
CID 81002351
1-[(E)-4-chlorobut-2-enyl]-4-methylpiperidin-4-ol
CID 81103168
4-Methyl-1-(2-methylidenebutyl)piperidin-4-ol
CID 81115594
1-[2-(Chloromethyl)prop-2-enyl]-4-methylpiperidin-4-ol
CID 103067933
1-[2-(Chloromethyl)prop-2-enyl]-3-methylpiperidin-3-ol
CID 103067975

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)-4-methylpiperidin-4-ol (CID 106439879) is 1-(3-chloro-2-methylprop-2-enyl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(3-chloro-2-methylprop-2-enyl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(3-chloro-2-methylprop-2-enyl)-4-methylpiperidin-4-ol is CC(=CCl)CN1CCC(C)(O)CC1.
What is the InChIKey of 1-(3-chloro-2-methylprop-2-enyl)-4-methylpiperidin-4-ol?
The InChIKey is ZQJZBUPQXQJAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-9(7-11)8-12-5-3-10(2,13)4-6-12/h7,13H,3-6,8H2,1-2H3.
What are the key properties of 1-(3-chloro-2-methylprop-2-enyl)-4-methylpiperidin-4-ol?
1-(3-chloro-2-methylprop-2-enyl)-4-methylpiperidin-4-ol has a molecular weight of 203.71 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylprop-2-enyl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 106439879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).