(2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid

C14H21N3O2 — CID 124512132

IUPAC(2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid
SMILESC[C@H](C(=O)O)N1CCN([C@H](C)c2cccnc2)CC1
InChIInChI=1S/C14H21N3O2/c1-11(13-4-3-5-15-10-13)16-6-8-17(9-7-16)12(2)14(18)19/h3-5,10-12H,6-9H2,1-2H3,(H,18,19)/t11-,12-/m1/s1
InChIKeyMNOASTVOXWJULC-VXGBXAGGSA-N
MW263.34 g/mol
LogP1.23
Rot. Bonds4

About (2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid

(2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid (PubChem CID 124512132) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid
PubChem CID124512132
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid
SMILESC[C@H](C(=O)O)N1CCN([C@H](C)c2cccnc2)CC1
InChIInChI=1S/C14H21N3O2/c1-11(13-4-3-5-15-10-13)16-6-8-17(9-7-16)12(2)14(18)19/h3-5,10-12H,6-9H2,1-2H3,(H,18,19)/t11-,12-/m1/s1
InChIKeyMNOASTVOXWJULC-VXGBXAGGSA-N
XLogP1.23
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one
CID 87038067
1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
CID 4272805
2-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]propanoic acid
CID 62691390
(4-chloro-2-pyridinyl)-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]methanone
CID 95628023
(1R)-1-phenyl-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]ethanol
CID 95322338
4-propyl-1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
CID 65065016
(1-aminocyclopropyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119903305
furan-3-yl-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
CID 60548232
1-(3,5-dichlorophenyl)-4-(1-pyridin-3-ylethyl)piperazine
CID 110452631
(1-aminocyclohexyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119903354
4-[4-(1-pyridin-3-ylethyl)piperazine-1-carbonyl]benzonitrile
CID 56790884
(2R)-2-[4-[(1S)-1-(4-bromophenyl)ethyl]piperazin-1-yl]propanoic acid
CID 124512123

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid?
The IUPAC name of (2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid (CID 124512132) is (2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for (2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid is C[C@H](C(=O)O)N1CCN([C@H](C)c2cccnc2)CC1.
What is the InChIKey of (2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid?
The InChIKey is MNOASTVOXWJULC-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11(13-4-3-5-15-10-13)16-6-8-17(9-7-16)12(2)14(18)19/h3-5,10-12H,6-9H2,1-2H3,(H,18,19)/t11-,12-/m1/s1.
What are the key properties of (2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid?
(2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 124512132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).