4-[4-(2-aminoethyl)-2-chlorophenyl]piperidine-1-carboxylic acid

C14H19ClN2O2 — CID 130303023

IUPAC4-[4-(2-aminoethyl)-2-chlorophenyl]piperidine-1-carboxylic acid
SMILESNCCc1ccc(C2CCN(C(=O)O)CC2)c(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c15-13-9-10(3-6-16)1-2-12(13)11-4-7-17(8-5-11)14(18)19/h1-2,9,11H,3-8,16H2,(H,18,19)
InChIKeyZBYAYEZCEYCCTA-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.70
Rot. Bonds3

About 4-[4-(2-aminoethyl)-2-chlorophenyl]piperidine-1-carboxylic acid

4-[4-(2-aminoethyl)-2-chlorophenyl]piperidine-1-carboxylic acid (PubChem CID 130303023) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-[4-(2-aminoethyl)-2-chlorophenyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(2-aminoethyl)-2-chlorophenyl]piperidine-1-carboxylic acid
PubChem CID130303023
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name4-[4-(2-aminoethyl)-2-chlorophenyl]piperidine-1-carboxylic acid
SMILESNCCc1ccc(C2CCN(C(=O)O)CC2)c(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c15-13-9-10(3-6-16)1-2-12(13)11-4-7-17(8-5-11)14(18)19/h1-2,9,11H,3-8,16H2,(H,18,19)
InChIKeyZBYAYEZCEYCCTA-UHFFFAOYSA-N
XLogP2.70
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-chloro-4-(hydroxymethyl)phenyl]piperidine-1-carboxylic acid
CID 130303228
4-(5-chloro-2-hydroxyphenyl)piperidine-1-carboxylic acid
CID 66905730
4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid
CID 22266122
4-[4-(bromomethyl)-2-ethylphenyl]piperidine-1-carboxylic acid
CID 118628074
4-[2-chloro-5-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]piperidine-1-carboxylic acid
CID 141303529
4-[4-(2-aminoethyl)-2-fluorophenyl]piperazine-1-carboxylic acid
CID 130302997
4-[3-(4-chlorophenyl)propyl]piperidine-1-carboxylic acid
CID 67084616
1-[2-(3-chloro-4-cyclopropylphenyl)ethyl]cyclopropan-1-amine
CID 105497358
4-(4-propylphenyl)piperidine-1-carboxylic acid
CID 90967974
tert-butyl 4-(2,4-dichlorophenyl)piperidine-1-carboxylate
CID 69189630
O-[2-(3-chloro-4-cyclohexylphenyl)ethyl]hydroxylamine
CID 117387845
4-[2-(2-hydroxyethyl)phenyl]piperidine-1-carboxylic acid
CID 69142231

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminoethyl)-2-chlorophenyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[4-(2-aminoethyl)-2-chlorophenyl]piperidine-1-carboxylic acid (CID 130303023) is 4-[4-(2-aminoethyl)-2-chlorophenyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[4-(2-aminoethyl)-2-chlorophenyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[4-(2-aminoethyl)-2-chlorophenyl]piperidine-1-carboxylic acid is NCCc1ccc(C2CCN(C(=O)O)CC2)c(Cl)c1.
What is the InChIKey of 4-[4-(2-aminoethyl)-2-chlorophenyl]piperidine-1-carboxylic acid?
The InChIKey is ZBYAYEZCEYCCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-13-9-10(3-6-16)1-2-12(13)11-4-7-17(8-5-11)14(18)19/h1-2,9,11H,3-8,16H2,(H,18,19).
What are the key properties of 4-[4-(2-aminoethyl)-2-chlorophenyl]piperidine-1-carboxylic acid?
4-[4-(2-aminoethyl)-2-chlorophenyl]piperidine-1-carboxylic acid has a molecular weight of 282.77 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminoethyl)-2-chlorophenyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 130303023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).