2-[2-[4-(2-aminoethylamino)piperidin-1-yl]phenyl]acetic acid

C15H23N3O2 — CID 70170914

IUPAC2-[2-[4-(2-aminoethylamino)piperidin-1-yl]phenyl]acetic acid
SMILESNCCNC1CCN(c2ccccc2CC(=O)O)CC1
InChIInChI=1S/C15H23N3O2/c16-7-8-17-13-5-9-18(10-6-13)14-4-2-1-3-12(14)11-15(19)20/h1-4,13,17H,5-11,16H2,(H,19,20)
InChIKeyIGTLIXXHUHWCSS-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.83
Rot. Bonds6

About 2-[2-[4-(2-aminoethylamino)piperidin-1-yl]phenyl]acetic acid

2-[2-[4-(2-aminoethylamino)piperidin-1-yl]phenyl]acetic acid (PubChem CID 70170914) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[2-[4-(2-aminoethylamino)piperidin-1-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(2-aminoethylamino)piperidin-1-yl]phenyl]acetic acid
PubChem CID70170914
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[2-[4-(2-aminoethylamino)piperidin-1-yl]phenyl]acetic acid
SMILESNCCNC1CCN(c2ccccc2CC(=O)O)CC1
InChIInChI=1S/C15H23N3O2/c16-7-8-17-13-5-9-18(10-6-13)14-4-2-1-3-12(14)11-15(19)20/h1-4,13,17H,5-11,16H2,(H,19,20)
InChIKeyIGTLIXXHUHWCSS-UHFFFAOYSA-N
XLogP0.83
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]phenyl]acetic acid
CID 22615450
3-[[1-(2-cyanophenyl)piperidin-4-yl]amino]propanoic acid
CID 56777931
2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethylcarbamic acid
CID 22615426
N-ethyl-1-(2-propylphenyl)piperidin-4-amine
CID 54963841
tert-butyl N-[1-[2-(aminomethyl)phenyl]piperidin-4-yl]carbamate
CID 67417632
3-[[1-(2-chlorophenyl)pyrrolidin-3-yl]amino]propanoic acid
CID 117004291
3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]-N-(2-methylphenyl)propanamide
CID 131927225
2-[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]acetic acid
CID 117004212
2-[2-(cyclopentylamino)ethyl]benzoic acid
CID 82934034
N-[2-[(1-phenylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 103775963
3-(cycloheptylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109029809
2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethylurea
CID 83111405

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-aminoethylamino)piperidin-1-yl]phenyl]acetic acid?
The IUPAC name of 2-[2-[4-(2-aminoethylamino)piperidin-1-yl]phenyl]acetic acid (CID 70170914) is 2-[2-[4-(2-aminoethylamino)piperidin-1-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[4-(2-aminoethylamino)piperidin-1-yl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[4-(2-aminoethylamino)piperidin-1-yl]phenyl]acetic acid is NCCNC1CCN(c2ccccc2CC(=O)O)CC1.
What is the InChIKey of 2-[2-[4-(2-aminoethylamino)piperidin-1-yl]phenyl]acetic acid?
The InChIKey is IGTLIXXHUHWCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-7-8-17-13-5-9-18(10-6-13)14-4-2-1-3-12(14)11-15(19)20/h1-4,13,17H,5-11,16H2,(H,19,20).
What are the key properties of 2-[2-[4-(2-aminoethylamino)piperidin-1-yl]phenyl]acetic acid?
2-[2-[4-(2-aminoethylamino)piperidin-1-yl]phenyl]acetic acid has a molecular weight of 277.37 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-aminoethylamino)piperidin-1-yl]phenyl]acetic acid is sourced from PubChem (CID 70170914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).