2-[3-(benzylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid

C19H30N2O2 — CID 83994003

IUPAC2-[3-(benzylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid
SMILESCC(C)(C)CC1CC(NCc2ccccc2)CN(CC(=O)O)C1
InChIInChI=1S/C19H30N2O2/c1-19(2,3)10-16-9-17(13-21(12-16)14-18(22)23)20-11-15-7-5-4-6-8-15/h4-8,16-17,20H,9-14H2,1-3H3,(H,22,23)
InChIKeyDKAHFOHQQOWYTE-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.99
Rot. Bonds6

About 2-[3-(benzylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid

2-[3-(benzylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid (PubChem CID 83994003) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-[3-(benzylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(benzylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid
PubChem CID83994003
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2-[3-(benzylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid
SMILESCC(C)(C)CC1CC(NCc2ccccc2)CN(CC(=O)O)C1
InChIInChI=1S/C19H30N2O2/c1-19(2,3)10-16-9-17(13-21(12-16)14-18(22)23)20-11-15-7-5-4-6-8-15/h4-8,16-17,20H,9-14H2,1-3H3,(H,22,23)
InChIKeyDKAHFOHQQOWYTE-UHFFFAOYSA-N
XLogP2.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-amine
CID 83993485
2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetic acid
CID 83994006
methyl 2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetate
CID 83994019
1-[3-(benzylamino)-5-(2,2,2-trifluoroethyl)piperidin-1-yl]ethanone
CID 83993688
methyl 2-[5-(benzylamino)-1-propylpiperidin-3-yl]acetate
CID 83993524
ethyl 2-[5-(benzylamino)-1-ethylpiperidin-3-yl]acetate
CID 83993494
2-[5-(benzylamino)-1-butan-2-ylpiperidin-3-yl]acetic acid
CID 83993816
2-[5-(benzylamino)-1-butanoylpiperidin-3-yl]acetic acid
CID 83993716
2-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetic acid
CID 83995392
N-benzyl-1-(cyclobutylmethyl)-5-ethylpiperidin-3-amine
CID 83993960
3-(benzylamino)-5-propylpiperidine-1-carboxamide
CID 83993642
3-[5-(benzylamino)-1-butan-2-ylpiperidin-3-yl]propanoic acid
CID 83993818

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(benzylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid (CID 83994003) is 2-[3-(benzylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(benzylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(benzylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid is CC(C)(C)CC1CC(NCc2ccccc2)CN(CC(=O)O)C1.
What is the InChIKey of 2-[3-(benzylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid?
The InChIKey is DKAHFOHQQOWYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-19(2,3)10-16-9-17(13-21(12-16)14-18(22)23)20-11-15-7-5-4-6-8-15/h4-8,16-17,20H,9-14H2,1-3H3,(H,22,23).
What are the key properties of 2-[3-(benzylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid?
2-[3-(benzylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid has a molecular weight of 318.46 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid is sourced from PubChem (CID 83994003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).