1-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]propan-2-ol

C12H22ClNO — CID 106440947

IUPAC1-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]propan-2-ol
SMILESCC(=CCl)CN1CCCCC1CC(C)O
InChIInChI=1S/C12H22ClNO/c1-10(8-13)9-14-6-4-3-5-12(14)7-11(2)15/h8,11-12,15H,3-7,9H2,1-2H3
InChIKeyRAGMRKVZNPTQEJ-UHFFFAOYSA-N
MW231.77 g/mol
LogP2.75
Rot. Bonds4

About 1-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]propan-2-ol

1-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]propan-2-ol (PubChem CID 106440947) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is 1-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]propan-2-ol
PubChem CID106440947
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name1-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]propan-2-ol
SMILESCC(=CCl)CN1CCCCC1CC(C)O
InChIInChI=1S/C12H22ClNO/c1-10(8-13)9-14-6-4-3-5-12(14)7-11(2)15/h8,11-12,15H,3-7,9H2,1-2H3
InChIKeyRAGMRKVZNPTQEJ-UHFFFAOYSA-N
XLogP2.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-Chloroprop-2-enyl)piperidin-2-yl]ethanol
CID 60346184
2-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]ethanol
CID 60596917
1-[1-(2-Chloroprop-2-enyl)piperidin-2-yl]propan-1-ol
CID 72004407
2-[1-(3-Chloroprop-2-enyl)piperidin-2-yl]ethanol
CID 76871555
2-[1-(4-Chlorobut-2-enyl)piperidin-2-yl]ethanol
CID 77051792
2-[1-(2,3-Dichloroprop-2-enyl)piperidin-2-yl]ethanol
CID 79173594
(1S)-1-[(2S)-1-(2-chloroprop-2-enyl)piperidin-2-yl]propan-1-ol
CID 96159407
(1R)-1-[(2S)-1-(2-chloroprop-2-enyl)piperidin-2-yl]propan-1-ol
CID 96159409
(1S)-1-[(2R)-1-(2-chloroprop-2-enyl)piperidin-2-yl]propan-1-ol
CID 96159412
(1R)-1-[(2R)-1-(2-chloroprop-2-enyl)piperidin-2-yl]propan-1-ol
CID 96159415
2-[1-[2-(Chloromethyl)prop-2-enyl]piperidin-2-yl]ethanol
CID 103067586
8-[2-(Chloromethyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 103067868

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]propan-2-ol (CID 106440947) is 1-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]propan-2-ol is CC(=CCl)CN1CCCCC1CC(C)O.
What is the InChIKey of 1-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]propan-2-ol?
The InChIKey is RAGMRKVZNPTQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c1-10(8-13)9-14-6-4-3-5-12(14)7-11(2)15/h8,11-12,15H,3-7,9H2,1-2H3.
What are the key properties of 1-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]propan-2-ol?
1-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]propan-2-ol has a molecular weight of 231.77 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloro-2-methylprop-2-enyl)piperidin-2-yl]propan-2-ol is sourced from PubChem (CID 106440947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).