benzyl (3R)-3-[2-hydroxyethyl(propan-2-yl)amino]piperidine-1-carboxylate

C18H28N2O3 — CID 66564317

IUPACbenzyl (3R)-3-[2-hydroxyethyl(propan-2-yl)amino]piperidine-1-carboxylate
SMILESCC(C)N(CCO)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C18H28N2O3/c1-15(2)20(11-12-21)17-9-6-10-19(13-17)18(22)23-14-16-7-4-3-5-8-16/h3-5,7-8,15,17,21H,6,9-14H2,1-2H3/t17-/m1/s1
InChIKeyFWERKJJHCWPUKE-QGZVFWFLSA-N
MW320.43 g/mol
LogP2.49
Rot. Bonds6

About benzyl (3R)-3-[2-hydroxyethyl(propan-2-yl)amino]piperidine-1-carboxylate

benzyl (3R)-3-[2-hydroxyethyl(propan-2-yl)amino]piperidine-1-carboxylate (PubChem CID 66564317) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is benzyl (3R)-3-[2-hydroxyethyl(propan-2-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3R)-3-[2-hydroxyethyl(propan-2-yl)amino]piperidine-1-carboxylate
PubChem CID66564317
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Namebenzyl (3R)-3-[2-hydroxyethyl(propan-2-yl)amino]piperidine-1-carboxylate
SMILESCC(C)N(CCO)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C18H28N2O3/c1-15(2)20(11-12-21)17-9-6-10-19(13-17)18(22)23-14-16-7-4-3-5-8-16/h3-5,7-8,15,17,21H,6,9-14H2,1-2H3/t17-/m1/s1
InChIKeyFWERKJJHCWPUKE-QGZVFWFLSA-N
XLogP2.49
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (3S)-3-[2-hydroxyethyl(propan-2-yl)amino]pyrrolidine-1-carboxylate
CID 66564312
benzyl 3-[2-aminoethyl(propan-2-yl)amino]piperidine-1-carboxylate
CID 66564362
benzyl 3-[2-aminopropanoyl(methyl)amino]piperidine-1-carboxylate
CID 77143740
2-[methyl-[(3S)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]acetic acid
CID 66563953
benzyl (3S)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate
CID 96552079
benzyl 3-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate
CID 66564306
benzyl 4-(dimethylamino)azepane-1-carboxylate
CID 59598099
benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174
benzyl 3-(2-methylpropanoyloxy)piperidine-1-carboxylate
CID 174760460
benzyl (3R)-3-[[(2S)-2-aminopropanoyl]-propan-2-ylamino]pyrrolidine-1-carboxylate
CID 66564895
benzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate
CID 67555799
benzyl (3R,4R)-4-fluoro-3-hydroxyazepane-1-carboxylate
CID 118230294

Frequently Asked Questions

What is the IUPAC name of benzyl (3R)-3-[2-hydroxyethyl(propan-2-yl)amino]piperidine-1-carboxylate?
The IUPAC name of benzyl (3R)-3-[2-hydroxyethyl(propan-2-yl)amino]piperidine-1-carboxylate (CID 66564317) is benzyl (3R)-3-[2-hydroxyethyl(propan-2-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for benzyl (3R)-3-[2-hydroxyethyl(propan-2-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for benzyl (3R)-3-[2-hydroxyethyl(propan-2-yl)amino]piperidine-1-carboxylate is CC(C)N(CCO)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl (3R)-3-[2-hydroxyethyl(propan-2-yl)amino]piperidine-1-carboxylate?
The InChIKey is FWERKJJHCWPUKE-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-15(2)20(11-12-21)17-9-6-10-19(13-17)18(22)23-14-16-7-4-3-5-8-16/h3-5,7-8,15,17,21H,6,9-14H2,1-2H3/t17-/m1/s1.
What are the key properties of benzyl (3R)-3-[2-hydroxyethyl(propan-2-yl)amino]piperidine-1-carboxylate?
benzyl (3R)-3-[2-hydroxyethyl(propan-2-yl)amino]piperidine-1-carboxylate has a molecular weight of 320.43 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R)-3-[2-hydroxyethyl(propan-2-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 66564317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).