1-(2-chloroprop-2-enyl)-4-methylpiperidin-4-ol

C9H16ClNO — CID 80702777

IUPAC1-(2-chloroprop-2-enyl)-4-methylpiperidin-4-ol
SMILESC=C(Cl)CN1CCC(C)(O)CC1
InChIInChI=1S/C9H16ClNO/c1-8(10)7-11-5-3-9(2,12)4-6-11/h12H,1,3-7H2,2H3
InChIKeyKKRZFMCQBMJWCG-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.59
Rot. Bonds2

About 1-(2-chloroprop-2-enyl)-4-methylpiperidin-4-ol

1-(2-chloroprop-2-enyl)-4-methylpiperidin-4-ol (PubChem CID 80702777) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enyl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2-chloroprop-2-enyl)-4-methylpiperidin-4-ol
PubChem CID80702777
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name1-(2-chloroprop-2-enyl)-4-methylpiperidin-4-ol
SMILESC=C(Cl)CN1CCC(C)(O)CC1
InChIInChI=1S/C9H16ClNO/c1-8(10)7-11-5-3-9(2,12)4-6-11/h12H,1,3-7H2,2H3
InChIKeyKKRZFMCQBMJWCG-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enyl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(2-chloroprop-2-enyl)-4-methylpiperidin-4-ol (CID 80702777) is 1-(2-chloroprop-2-enyl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(2-chloroprop-2-enyl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(2-chloroprop-2-enyl)-4-methylpiperidin-4-ol is C=C(Cl)CN1CCC(C)(O)CC1.
What is the InChIKey of 1-(2-chloroprop-2-enyl)-4-methylpiperidin-4-ol?
The InChIKey is KKRZFMCQBMJWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-8(10)7-11-5-3-9(2,12)4-6-11/h12H,1,3-7H2,2H3.
What are the key properties of 1-(2-chloroprop-2-enyl)-4-methylpiperidin-4-ol?
1-(2-chloroprop-2-enyl)-4-methylpiperidin-4-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-(2-chloroprop-2-enyl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 80702777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).