1-(3-chloro-2-methylprop-2-enyl)piperidine-4-carboxylic acid

C10H16ClNO2 — CID 106439191

IUPAC1-(3-chloro-2-methylprop-2-enyl)piperidine-4-carboxylic acid
SMILESCC(=CCl)CN1CCC(C(=O)O)CC1
InChIInChI=1S/C10H16ClNO2/c1-8(6-11)7-12-4-2-9(3-5-12)10(13)14/h6,9H,2-5,7H2,1H3,(H,13,14)
InChIKeyFUPFYUZREDHYSS-UHFFFAOYSA-N
MW217.70 g/mol
LogP1.93
Rot. Bonds3

About 1-(3-chloro-2-methylprop-2-enyl)piperidine-4-carboxylic acid

1-(3-chloro-2-methylprop-2-enyl)piperidine-4-carboxylic acid (PubChem CID 106439191) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is 1-(3-chloro-2-methylprop-2-enyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-2-methylprop-2-enyl)piperidine-4-carboxylic acid
PubChem CID106439191
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC Name1-(3-chloro-2-methylprop-2-enyl)piperidine-4-carboxylic acid
SMILESCC(=CCl)CN1CCC(C(=O)O)CC1
InChIInChI=1S/C10H16ClNO2/c1-8(6-11)7-12-4-2-9(3-5-12)10(13)14/h6,9H,2-5,7H2,1H3,(H,13,14)
InChIKeyFUPFYUZREDHYSS-UHFFFAOYSA-N
XLogP1.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine
CID 106439936
1-(3-chloro-2-methylprop-2-enyl)azepane-2-carboxylic acid
CID 106439274
1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 39246836
1-(2-bromoprop-2-enyl)piperidine-4-carboxylic acid
CID 60872449
1-(2-oxopropyl)pyrrolidine-3-carboxylic acid
CID 121200178
3-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine
CID 106439945
1-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 39243400
4-(2-chloroethoxy)-1-(3-chloro-2-methylprop-2-enyl)piperidine
CID 106440040
1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid
CID 43441474
3-methyl-4-[4-(methylcarbamoyl)piperidin-1-yl]but-2-enoic acid
CID 77005834
1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908022
3-(2-chloroethyl)-1-(3-chloro-2-methylprop-2-enyl)pyrrolidine
CID 106440086

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)piperidine-4-carboxylic acid (CID 106439191) is 1-(3-chloro-2-methylprop-2-enyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-2-methylprop-2-enyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-chloro-2-methylprop-2-enyl)piperidine-4-carboxylic acid is CC(=CCl)CN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(3-chloro-2-methylprop-2-enyl)piperidine-4-carboxylic acid?
The InChIKey is FUPFYUZREDHYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO2/c1-8(6-11)7-12-4-2-9(3-5-12)10(13)14/h6,9H,2-5,7H2,1H3,(H,13,14).
What are the key properties of 1-(3-chloro-2-methylprop-2-enyl)piperidine-4-carboxylic acid?
1-(3-chloro-2-methylprop-2-enyl)piperidine-4-carboxylic acid has a molecular weight of 217.70 g/mol, XLogP of 1.93, 3 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)piperidine-4-carboxylic acid is sourced from PubChem (CID 106439191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).