[1-(3,3-dichloroprop-2-enyl)piperidin-4-yl]methanol

C9H15Cl2NO — CID 164655973

IUPAC[1-(3,3-dichloroprop-2-enyl)piperidin-4-yl]methanol
SMILESOCC1CCN(CC=C(Cl)Cl)CC1
InChIInChI=1S/C9H15Cl2NO/c10-9(11)3-6-12-4-1-8(7-13)2-5-12/h3,8,13H,1-2,4-7H2
InChIKeyCAWIHNHVRAMJKL-UHFFFAOYSA-N
MW224.13 g/mol
LogP2.01
Rot. Bonds3

About [1-(3,3-dichloroprop-2-enyl)piperidin-4-yl]methanol

[1-(3,3-dichloroprop-2-enyl)piperidin-4-yl]methanol (PubChem CID 164655973) has the molecular formula C9H15Cl2NO and a molecular weight of 224.13 g/mol. Its IUPAC name is [1-(3,3-dichloroprop-2-enyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(3,3-dichloroprop-2-enyl)piperidin-4-yl]methanol
PubChem CID164655973
Molecular FormulaC9H15Cl2NO
Molecular Weight224.13 g/mol
Exact Mass223.05
IUPAC Name[1-(3,3-dichloroprop-2-enyl)piperidin-4-yl]methanol
SMILESOCC1CCN(CC=C(Cl)Cl)CC1
InChIInChI=1S/C9H15Cl2NO/c10-9(11)3-6-12-4-1-8(7-13)2-5-12/h3,8,13H,1-2,4-7H2
InChIKeyCAWIHNHVRAMJKL-UHFFFAOYSA-N
XLogP2.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-prop-2-enylpiperidin-4-yl)methanol
CID 60768656
[1-(2-chloroprop-2-enyl)azepan-4-yl]methanol
CID 130758179
(1-prop-2-enylpyrrolidin-3-yl)methanol
CID 25219526
[1-[2-(azetidin-2-yl)ethyl]piperidin-4-yl]methanol
CID 123835791
[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanol
CID 54080163
2-ethyl-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]butan-1-ol
CID 62272730
6-[4-(hydroxymethyl)piperidin-1-yl]hexan-1-ol
CID 103737785
[1-[(2S)-2-aminopropyl]piperidin-4-yl]methanol
CID 22689432
3-[4-(hydroxymethyl)piperidin-1-yl]propanenitrile
CID 43133161
4-(hydroxymethyl)piperidine-1-carboxylate
CID 18454833
[1-[2-(azetidin-3-yl)ethyl]piperidin-4-yl]methanol
CID 107391013
1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carbaldehyde
CID 62278259

Frequently Asked Questions

What is the IUPAC name of [1-(3,3-dichloroprop-2-enyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(3,3-dichloroprop-2-enyl)piperidin-4-yl]methanol (CID 164655973) is [1-(3,3-dichloroprop-2-enyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(3,3-dichloroprop-2-enyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(3,3-dichloroprop-2-enyl)piperidin-4-yl]methanol is OCC1CCN(CC=C(Cl)Cl)CC1.
What is the InChIKey of [1-(3,3-dichloroprop-2-enyl)piperidin-4-yl]methanol?
The InChIKey is CAWIHNHVRAMJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2NO/c10-9(11)3-6-12-4-1-8(7-13)2-5-12/h3,8,13H,1-2,4-7H2.
What are the key properties of [1-(3,3-dichloroprop-2-enyl)piperidin-4-yl]methanol?
[1-(3,3-dichloroprop-2-enyl)piperidin-4-yl]methanol has a molecular weight of 224.13 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3-dichloroprop-2-enyl)piperidin-4-yl]methanol is sourced from PubChem (CID 164655973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).