benzyl (2S)-2-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate

C18H28N2O3 — CID 97177443

IUPACbenzyl (2S)-2-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate
SMILESCCN[C@@H](CCO)[C@@H]1CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C18H28N2O3/c1-2-19-16(11-13-21)17-10-6-7-12-20(17)18(22)23-14-15-8-4-3-5-9-15/h3-5,8-9,16-17,19,21H,2,6-7,10-14H2,1H3/t16-,17-/m0/s1
InChIKeyYCKDYZACTMPNJK-IRXDYDNUSA-N
MW320.43 g/mol
LogP2.54
Rot. Bonds7

About benzyl (2S)-2-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate

benzyl (2S)-2-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate (PubChem CID 97177443) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is benzyl (2S)-2-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate
PubChem CID97177443
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Namebenzyl (2S)-2-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate
SMILESCCN[C@@H](CCO)[C@@H]1CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C18H28N2O3/c1-2-19-16(11-13-21)17-10-6-7-12-20(17)18(22)23-14-15-8-4-3-5-9-15/h3-5,8-9,16-17,19,21H,2,6-7,10-14H2,1H3/t16-,17-/m0/s1
InChIKeyYCKDYZACTMPNJK-IRXDYDNUSA-N
XLogP2.54
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate
CID 97177469
benzyl 2-(1,3-dihydroxypropyl)pyrrolidine-1-carboxylate
CID 68745520
benzyl 2-(1-hydroxybutyl)pyrrolidine-1-carboxylate
CID 56976616
benzyl (2S)-2-[(2S)-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 50899991
benzyl (2R)-2-[bis(ethylsulfanyl)methyl]pyrrolidine-1-carboxylate
CID 101064056
benzyl (2S)-2-(1-bromoethyl)pyrrolidine-1-carboxylate
CID 67770305
benzyl 2-(2-amino-1-hydroxyethyl)azepane-1-carboxylate
CID 115006824
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2R)-1-phenylmethoxycarbonylpiperidin-2-yl]acetic acid
CID 93077883
benzyl 4-[(1S)-1-(cyclopropylamino)-3-hydroxypropyl]piperidine-1-carboxylate
CID 97169782
benzyl (2R)-2-acetylpiperidine-1-carboxylate
CID 89477385
benzyl (2S)-2-[(E,1R)-1-hydroxy-4-methoxy-4-oxobut-2-enyl]pyrrolidine-1-carboxylate
CID 71512342
benzyl (2S)-2-cyanopiperidine-1-carboxylate
CID 27281979

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate?
The IUPAC name of benzyl (2S)-2-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate (CID 97177443) is benzyl (2S)-2-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate is CCN[C@@H](CCO)[C@@H]1CCCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate?
The InChIKey is YCKDYZACTMPNJK-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-2-19-16(11-13-21)17-10-6-7-12-20(17)18(22)23-14-15-8-4-3-5-9-15/h3-5,8-9,16-17,19,21H,2,6-7,10-14H2,1H3/t16-,17-/m0/s1.
What are the key properties of benzyl (2S)-2-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate?
benzyl (2S)-2-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate has a molecular weight of 320.43 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate is sourced from PubChem (CID 97177443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).