1-(3-chloro-2-methylprop-2-enyl)piperidin-3-ol

C9H16ClNO — CID 106439835

IUPAC1-(3-chloro-2-methylprop-2-enyl)piperidin-3-ol
SMILESCC(=CCl)CN1CCCC(O)C1
InChIInChI=1S/C9H16ClNO/c1-8(5-10)6-11-4-2-3-9(12)7-11/h5,9,12H,2-4,6-7H2,1H3
InChIKeyBJCNMPATDQOSFW-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.59
Rot. Bonds2

About 1-(3-chloro-2-methylprop-2-enyl)piperidin-3-ol

1-(3-chloro-2-methylprop-2-enyl)piperidin-3-ol (PubChem CID 106439835) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 1-(3-chloro-2-methylprop-2-enyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(3-chloro-2-methylprop-2-enyl)piperidin-3-ol
PubChem CID106439835
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name1-(3-chloro-2-methylprop-2-enyl)piperidin-3-ol
SMILESCC(=CCl)CN1CCCC(O)C1
InChIInChI=1S/C9H16ClNO/c1-8(5-10)6-11-4-2-3-9(12)7-11/h5,9,12H,2-4,6-7H2,1H3
InChIKeyBJCNMPATDQOSFW-UHFFFAOYSA-N
XLogP1.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Chloroprop-2-enyl)piperidin-3-ol
CID 60689944
(3R)-1-[(E)-2-methylbut-2-enyl]piperidin-3-ol
CID 31196430
(3S)-1-[(E)-2-methylbut-2-enyl]piperidin-3-ol
CID 31196432
1-(2-Methyl-2-buten-1-yl)-3-piperidinol
CID 45927892
1-(2-Methylprop-2-enyl)piperidin-3-ol
CID 60689766
1-(3-Methylbut-2-enyl)piperidin-3-ol
CID 60689943
1-(3-Chloro-2-methylpropyl)piperidin-3-ol
CID 64229675
1-[(E)-4-chlorobut-2-enyl]piperidin-3-ol
CID 64682759
1-(2-Methylidenebutyl)piperidin-3-ol
CID 66037827
1-(2-Methylbut-2-enyl)piperidin-3-ol
CID 72146479
1-(3-Chloroprop-2-enyl)piperidin-3-ol
CID 76874432
1-(4-Chlorobut-2-enyl)piperidin-3-ol
CID 77051800

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)piperidin-3-ol?
The IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)piperidin-3-ol (CID 106439835) is 1-(3-chloro-2-methylprop-2-enyl)piperidin-3-ol.
What is the SMILES notation for 1-(3-chloro-2-methylprop-2-enyl)piperidin-3-ol?
The canonical SMILES for 1-(3-chloro-2-methylprop-2-enyl)piperidin-3-ol is CC(=CCl)CN1CCCC(O)C1.
What is the InChIKey of 1-(3-chloro-2-methylprop-2-enyl)piperidin-3-ol?
The InChIKey is BJCNMPATDQOSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-8(5-10)6-11-4-2-3-9(12)7-11/h5,9,12H,2-4,6-7H2,1H3.
What are the key properties of 1-(3-chloro-2-methylprop-2-enyl)piperidin-3-ol?
1-(3-chloro-2-methylprop-2-enyl)piperidin-3-ol has a molecular weight of 189.69 g/mol, XLogP of 1.59, 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)piperidin-3-ol is sourced from PubChem (CID 106439835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).