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

C20H32N2O2 — CID 122127811

IUPAC4-methyl-2-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pentanoic acid
SMILESCC(C)CC(CNC1CCN(CCc2ccccc2)CC1)C(=O)O
InChIInChI=1S/C20H32N2O2/c1-16(2)14-18(20(23)24)15-21-19-9-12-22(13-10-19)11-8-17-6-4-3-5-7-17/h3-7,16,18-19,21H,8-15H2,1-2H3,(H,23,24)
InChIKeySRHRQQFUMKIKPD-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.03
Rot. Bonds9

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

4-methyl-2-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pentanoic acid (PubChem CID 122127811) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 4-methyl-2-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pentanoic acid
PubChem CID122127811
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name4-methyl-2-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pentanoic acid
SMILESCC(C)CC(CNC1CCN(CCc2ccccc2)CC1)C(=O)O
InChIInChI=1S/C20H32N2O2/c1-16(2)14-18(20(23)24)15-21-19-9-12-22(13-10-19)11-8-17-6-4-3-5-7-17/h3-7,16,18-19,21H,8-15H2,1-2H3,(H,23,24)
InChIKeySRHRQQFUMKIKPD-UHFFFAOYSA-N
XLogP3.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pentanoic acid with MolForge

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Related Compounds

2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol
CID 65034212
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid
CID 61499758
2-[[[1-(4-methoxy-4-oxobutyl)piperidin-4-yl]amino]methyl]-4-methylpentanoic acid
CID 122127900
N-(2-methyl-3-piperidin-1-ylpropyl)-1-(2-phenylethyl)piperidin-4-amine
CID 119165134
N,N-dimethyl-2-[[1-(2-phenylethyl)piperidin-4-yl]amino]acetamide
CID 60796882
N-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 64570465
N-butan-2-yl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanamide
CID 119165178
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
2-methyl-1-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-2-ol
CID 63239768
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]-N-propylacetamide
CID 119164761
4-methyl-2-[(spiro[2.5]octan-6-ylamino)methyl]pentanoic acid
CID 122128027
N'-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-N'-propan-2-ylethane-1,2-diamine
CID 119165252

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pentanoic acid (CID 122127811) is 4-methyl-2-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pentanoic acid is CC(C)CC(CNC1CCN(CCc2ccccc2)CC1)C(=O)O.
What is the InChIKey of 4-methyl-2-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pentanoic acid?
The InChIKey is SRHRQQFUMKIKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-16(2)14-18(20(23)24)15-21-19-9-12-22(13-10-19)11-8-17-6-4-3-5-7-17/h3-7,16,18-19,21H,8-15H2,1-2H3,(H,23,24).
What are the key properties of 4-methyl-2-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pentanoic acid?
4-methyl-2-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pentanoic acid has a molecular weight of 332.49 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pentanoic acid is sourced from PubChem (CID 122127811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).