2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid

C16H24N2O2 — CID 61499758

IUPAC2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid
SMILESCC(NC1CCN(CCc2ccccc2)CC1)C(=O)O
InChIInChI=1S/C16H24N2O2/c1-13(16(19)20)17-15-8-11-18(12-9-15)10-7-14-5-3-2-4-6-14/h2-6,13,15,17H,7-12H2,1H3,(H,19,20)
InChIKeyMZZUTTMSKIMAER-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.76
Rot. Bonds6

About 2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid

2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid (PubChem CID 61499758) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid
PubChem CID61499758
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid
SMILESCC(NC1CCN(CCc2ccccc2)CC1)C(=O)O
InChIInChI=1S/C16H24N2O2/c1-13(16(19)20)17-15-8-11-18(12-9-15)10-7-14-5-3-2-4-6-14/h2-6,13,15,17H,7-12H2,1H3,(H,19,20)
InChIKeyMZZUTTMSKIMAER-UHFFFAOYSA-N
XLogP1.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol
CID 114986909
4-methyl-2-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pentanoic acid
CID 122127811
2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol
CID 65034212
N-(dicyclopropylmethyl)-1-(2-phenylethyl)piperidin-4-amine
CID 119165181
1-[1-(2-phenylethyl)piperidin-4-yl]ethanol
CID 103656947
2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]butan-1-ol
CID 115677253
1-(2-phenylethyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine
CID 119165057
oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)
CID 146470915
oxalic acid;N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 118877840
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
(2S)-2-amino-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119844586
N,N-dimethyl-2-[[1-(2-phenylethyl)piperidin-4-yl]amino]acetamide
CID 60796882

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid?
The IUPAC name of 2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid (CID 61499758) is 2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid.
What is the SMILES notation for 2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid?
The canonical SMILES for 2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid is CC(NC1CCN(CCc2ccccc2)CC1)C(=O)O.
What is the InChIKey of 2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid?
The InChIKey is MZZUTTMSKIMAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(16(19)20)17-15-8-11-18(12-9-15)10-7-14-5-3-2-4-6-14/h2-6,13,15,17H,7-12H2,1H3,(H,19,20).
What are the key properties of 2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid?
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid has a molecular weight of 276.38 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid is sourced from PubChem (CID 61499758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).