tert-butyl N-[(1S,2R)-2-[[(3R)-3-ethylpiperidin-1-yl]methyl]cyclohexyl]carbamate

C19H36N2O2 — CID 59007612

IUPACtert-butyl N-[(1S,2R)-2-[[(3R)-3-ethylpiperidin-1-yl]methyl]cyclohexyl]carbamate
SMILESCC[C@@H]1CCCN(C[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H36N2O2/c1-5-15-9-8-12-21(13-15)14-16-10-6-7-11-17(16)20-18(22)23-19(2,3)4/h15-17H,5-14H2,1-4H3,(H,20,22)/t15-,16-,17+/m1/s1
InChIKeyPKAVPHMKZUAYLS-ZACQAIPSSA-N
MW324.51 g/mol
LogP4.19
Rot. Bonds4

About tert-butyl N-[(1S,2R)-2-[[(3R)-3-ethylpiperidin-1-yl]methyl]cyclohexyl]carbamate

tert-butyl N-[(1S,2R)-2-[[(3R)-3-ethylpiperidin-1-yl]methyl]cyclohexyl]carbamate (PubChem CID 59007612) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is tert-butyl N-[(1S,2R)-2-[[(3R)-3-ethylpiperidin-1-yl]methyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2R)-2-[[(3R)-3-ethylpiperidin-1-yl]methyl]cyclohexyl]carbamate
PubChem CID59007612
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Nametert-butyl N-[(1S,2R)-2-[[(3R)-3-ethylpiperidin-1-yl]methyl]cyclohexyl]carbamate
SMILESCC[C@@H]1CCCN(C[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H36N2O2/c1-5-15-9-8-12-21(13-15)14-16-10-6-7-11-17(16)20-18(22)23-19(2,3)4/h15-17H,5-14H2,1-4H3,(H,20,22)/t15-,16-,17+/m1/s1
InChIKeyPKAVPHMKZUAYLS-ZACQAIPSSA-N
XLogP4.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexyl]carbamate
CID 143571188
tert-butyl N-[(2S)-2-[[3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexyl]carbamate
CID 143571096
tert-butyl N-[(1R,2S)-2-[[3-(2-methylpropyl)piperidin-1-yl]methyl]cyclohexyl]carbamate
CID 59007490
tert-butyl N-[(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]carbamate;cis-(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexan-1-amine;hydrochloride
CID 158128680
tert-butyl N-(2-ethylcyclopentyl)carbamate
CID 131075497
4-(aminomethyl)-N-[(1S,2R)-2-[[(3R)-3-ethylpiperidin-1-yl]methyl]cyclohexyl]benzamide
CID 59007507
tert-butyl N-[(1R,2S)-2-[[4-[(E)-but-2-enoxy]piperidin-1-yl]methyl]cyclohexyl]carbamate
CID 71159934
tert-butyl N-[(1S,2S)-2-formylcyclohexyl]carbamate;cis-(1S,2R)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;dihydrochloride
CID 162120338
tert-butyl N-[2-[(2-ethylcyclohexyl)amino]cyclopentyl]carbamate
CID 107243819
tert-butyl N-[[4-[[(1S,2R)-2-[[(3R)-3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexyl]carbamoyl]phenyl]methyl]carbamate;cis-(1S,2R)-2-[[(3R)-3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexan-1-amine;4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid;dihydrochloride
CID 157423613
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate
CID 68804451
2-[(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]acetic acid
CID 34176591

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2R)-2-[[(3R)-3-ethylpiperidin-1-yl]methyl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2R)-2-[[(3R)-3-ethylpiperidin-1-yl]methyl]cyclohexyl]carbamate (CID 59007612) is tert-butyl N-[(1S,2R)-2-[[(3R)-3-ethylpiperidin-1-yl]methyl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2R)-2-[[(3R)-3-ethylpiperidin-1-yl]methyl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2R)-2-[[(3R)-3-ethylpiperidin-1-yl]methyl]cyclohexyl]carbamate is CC[C@@H]1CCCN(C[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(1S,2R)-2-[[(3R)-3-ethylpiperidin-1-yl]methyl]cyclohexyl]carbamate?
The InChIKey is PKAVPHMKZUAYLS-ZACQAIPSSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-5-15-9-8-12-21(13-15)14-16-10-6-7-11-17(16)20-18(22)23-19(2,3)4/h15-17H,5-14H2,1-4H3,(H,20,22)/t15-,16-,17+/m1/s1.
What are the key properties of tert-butyl N-[(1S,2R)-2-[[(3R)-3-ethylpiperidin-1-yl]methyl]cyclohexyl]carbamate?
tert-butyl N-[(1S,2R)-2-[[(3R)-3-ethylpiperidin-1-yl]methyl]cyclohexyl]carbamate has a molecular weight of 324.51 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2R)-2-[[(3R)-3-ethylpiperidin-1-yl]methyl]cyclohexyl]carbamate is sourced from PubChem (CID 59007612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).