2-[[benzyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylic acid

C16H24N2O3 — CID 175063335

IUPAC2-[[benzyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCCC1CN(CCO)Cc1ccccc1
InChIInChI=1S/C16H24N2O3/c19-11-10-17(12-14-6-2-1-3-7-14)13-15-8-4-5-9-18(15)16(20)21/h1-3,6-7,15,19H,4-5,8-13H2,(H,20,21)
InChIKeyMVUDUSIEGIMWCO-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.01
Rot. Bonds6

About 2-[[benzyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylic acid

2-[[benzyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylic acid (PubChem CID 175063335) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[[benzyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[[benzyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylic acid
PubChem CID175063335
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[[benzyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCCC1CN(CCO)Cc1ccccc1
InChIInChI=1S/C16H24N2O3/c19-11-10-17(12-14-6-2-1-3-7-14)13-15-8-4-5-9-18(15)16(20)21/h1-3,6-7,15,19H,4-5,8-13H2,(H,20,21)
InChIKeyMVUDUSIEGIMWCO-UHFFFAOYSA-N
XLogP2.01
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(4-ethynylphenyl)methyl-(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylic acid
CID 135357731
benzyl (2R)-2-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate
CID 96552293
2-(benzylamino)-1-phenylethanol;2-[[benzyl-(2-hydroxy-2-phenylethyl)amino]methyl]piperidine-1-carboxylic acid
CID 135357861
2-[2-[[benzyl(ethyl)amino]methyl]piperidin-1-yl]ethanol
CID 66566955
benzyl 2-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidine-1-carboxylate
CID 66564283
benzyl (2S)-2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]pyrrolidine-1-carboxylate
CID 66564329
N-benzyl-N-(2-hydroxyethyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523337
benzyl 2-[[2-aminoethyl(ethyl)amino]methyl]piperidine-1-carboxylate
CID 66564351
2-amino-1-[2-[[benzyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone
CID 66567140
(2S)-2-[[benzyl(methyl)amino]methyl]pyrrolidine-1-carboxamide
CID 67649850
2-[ethyl-[[(2S)-1-phenylmethoxycarbonylpiperidin-2-yl]methyl]amino]acetic acid
CID 96552254
(5R)-5-[[benzyl(2-hydroxyethyl)amino]methyl]pyrrolidin-2-one
CID 66865389

Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 2-[[benzyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylic acid (CID 175063335) is 2-[[benzyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 2-[[benzyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 2-[[benzyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylic acid is O=C(O)N1CCCCC1CN(CCO)Cc1ccccc1.
What is the InChIKey of 2-[[benzyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylic acid?
The InChIKey is MVUDUSIEGIMWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c19-11-10-17(12-14-6-2-1-3-7-14)13-15-8-4-5-9-18(15)16(20)21/h1-3,6-7,15,19H,4-5,8-13H2,(H,20,21).
What are the key properties of 2-[[benzyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylic acid?
2-[[benzyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 175063335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).