benzyl 4-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate

C18H28N2O3 — CID 97177469

IUPACbenzyl 4-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate
SMILESCCN[C@@H](CCO)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C18H28N2O3/c1-2-19-17(10-13-21)16-8-11-20(12-9-16)18(22)23-14-15-6-4-3-5-7-15/h3-7,16-17,19,21H,2,8-14H2,1H3/t17-/m0/s1
InChIKeyRSFFYNNNCUVLHM-KRWDZBQOSA-N
MW320.43 g/mol
LogP2.40
Rot. Bonds7

About benzyl 4-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate

benzyl 4-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate (PubChem CID 97177469) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is benzyl 4-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate
PubChem CID97177469
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Namebenzyl 4-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate
SMILESCCN[C@@H](CCO)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C18H28N2O3/c1-2-19-17(10-13-21)16-8-11-20(12-9-16)18(22)23-14-15-6-4-3-5-7-15/h3-7,16-17,19,21H,2,8-14H2,1H3/t17-/m0/s1
InChIKeyRSFFYNNNCUVLHM-KRWDZBQOSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-[(1S)-1-(cyclopropylamino)-3-hydroxypropyl]piperidine-1-carboxylate
CID 97169782
benzyl 4-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylate
CID 70855943
benzyl (2S)-2-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate
CID 97177443
benzyl 4-[(1S)-1-(chloroamino)ethyl]piperidine-1-carboxylate
CID 126554184
benzyl 4-(1-aminopropyl)piperidine-1-carboxylate
CID 154815286
benzyl 4-(diethoxymethyl)piperidine-1-carboxylate
CID 170639553
benzyl (3R)-3-[(1S)-1-aminoethyl]pyrrolidine-1-carboxylate
CID 86674568
benzyl 4-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 66569243
benzyl 4-[(1R)-1-hydroxy-3-methoxy-3-oxopropyl]piperidine-1-carboxylate
CID 97168111
benzyl 4-(1-hydroxy-3-methoxy-3-oxopropyl)piperidine-1-carboxylate
CID 71648259
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-phenylmethoxycarbonylpiperidin-4-yl)propanoic acid
CID 25417523

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate (CID 97177469) is benzyl 4-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate is CCN[C@@H](CCO)C1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate?
The InChIKey is RSFFYNNNCUVLHM-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-2-19-17(10-13-21)16-8-11-20(12-9-16)18(22)23-14-15-6-4-3-5-7-15/h3-7,16-17,19,21H,2,8-14H2,1H3/t17-/m0/s1.
What are the key properties of benzyl 4-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate?
benzyl 4-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate has a molecular weight of 320.43 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate is sourced from PubChem (CID 97177469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).