2,2-dimethyl-4-[(1-phenylpiperidin-4-yl)amino]butanoic acid

C17H26N2O2 — CID 122127131

IUPAC2,2-dimethyl-4-[(1-phenylpiperidin-4-yl)amino]butanoic acid
SMILESCC(C)(CCNC1CCN(c2ccccc2)CC1)C(=O)O
InChIInChI=1S/C17H26N2O2/c1-17(2,16(20)21)10-11-18-14-8-12-19(13-9-14)15-6-4-3-5-7-15/h3-7,14,18H,8-13H2,1-2H3,(H,20,21)
InChIKeyJRTUMSHREKAGER-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.75
Rot. Bonds6

About 2,2-dimethyl-4-[(1-phenylpiperidin-4-yl)amino]butanoic acid

2,2-dimethyl-4-[(1-phenylpiperidin-4-yl)amino]butanoic acid (PubChem CID 122127131) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2,2-dimethyl-4-[(1-phenylpiperidin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-[(1-phenylpiperidin-4-yl)amino]butanoic acid
PubChem CID122127131
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2,2-dimethyl-4-[(1-phenylpiperidin-4-yl)amino]butanoic acid
SMILESCC(C)(CCNC1CCN(c2ccccc2)CC1)C(=O)O
InChIInChI=1S/C17H26N2O2/c1-17(2,16(20)21)10-11-18-14-8-12-19(13-9-14)15-6-4-3-5-7-15/h3-7,14,18H,8-13H2,1-2H3,(H,20,21)
InChIKeyJRTUMSHREKAGER-UHFFFAOYSA-N
XLogP2.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylbutyl)-1-phenylpiperidin-4-amine
CID 103779062
4-[[1-[(2-bromophenyl)methyl]piperidin-4-yl]amino]-2,2-dimethylbutanoic acid
CID 122127228
N-(3-cyclopropylpropyl)-1-phenylpiperidin-4-amine
CID 103902375
N-[2-[(1-phenylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 103775963
2,2-dimethyl-3-[(1-phenylpiperidin-4-yl)amino]propan-1-ol
CID 103904032
4-(cyclooctylamino)-2,2-dimethylbutanoic acid
CID 122084393
4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-2,2-dimethylbutanoic acid
CID 122084433
2,2-dimethyl-4-[(3-methyl-3-phenylcyclobutyl)amino]butanoic acid
CID 122127498
3-hydroxy-3-phenyl-N-(1-phenylpiperidin-4-yl)butanamide
CID 86785833
N-(1-phenylpiperidin-4-yl)acetamide;hydrochloride
CID 155657873
N-[3-(cyclopropylmethoxy)propyl]-1-phenylpiperidin-4-amine
CID 103776355
N-(2-ethoxy-2-methylpropyl)-1-phenylpiperidin-4-amine
CID 102613559

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[(1-phenylpiperidin-4-yl)amino]butanoic acid?
The IUPAC name of 2,2-dimethyl-4-[(1-phenylpiperidin-4-yl)amino]butanoic acid (CID 122127131) is 2,2-dimethyl-4-[(1-phenylpiperidin-4-yl)amino]butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-[(1-phenylpiperidin-4-yl)amino]butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-[(1-phenylpiperidin-4-yl)amino]butanoic acid is CC(C)(CCNC1CCN(c2ccccc2)CC1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-[(1-phenylpiperidin-4-yl)amino]butanoic acid?
The InChIKey is JRTUMSHREKAGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2,16(20)21)10-11-18-14-8-12-19(13-9-14)15-6-4-3-5-7-15/h3-7,14,18H,8-13H2,1-2H3,(H,20,21).
What are the key properties of 2,2-dimethyl-4-[(1-phenylpiperidin-4-yl)amino]butanoic acid?
2,2-dimethyl-4-[(1-phenylpiperidin-4-yl)amino]butanoic acid has a molecular weight of 290.41 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[(1-phenylpiperidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 122127131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).