tert-butyl N-[(2S)-1-cyclohexyl-3-hydroxy-4-piperidin-1-ylbutan-2-yl]carbamate

C20H38N2O3 — CID 56982890

IUPACtert-butyl N-[(2S)-1-cyclohexyl-3-hydroxy-4-piperidin-1-ylbutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(O)CN1CCCCC1
InChIInChI=1S/C20H38N2O3/c1-20(2,3)25-19(24)21-17(14-16-10-6-4-7-11-16)18(23)15-22-12-8-5-9-13-22/h16-18,23H,4-15H2,1-3H3,(H,21,24)/t17-,18?/m0/s1
InChIKeyWECRPRPMPUVTER-ZENAZSQFSA-N
MW354.54 g/mol
LogP3.70
Rot. Bonds6

About tert-butyl N-[(2S)-1-cyclohexyl-3-hydroxy-4-piperidin-1-ylbutan-2-yl]carbamate

tert-butyl N-[(2S)-1-cyclohexyl-3-hydroxy-4-piperidin-1-ylbutan-2-yl]carbamate (PubChem CID 56982890) has the molecular formula C20H38N2O3 and a molecular weight of 354.54 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-cyclohexyl-3-hydroxy-4-piperidin-1-ylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-cyclohexyl-3-hydroxy-4-piperidin-1-ylbutan-2-yl]carbamate
PubChem CID56982890
Molecular FormulaC20H38N2O3
Molecular Weight354.54 g/mol
Exact Mass354.29
IUPAC Nametert-butyl N-[(2S)-1-cyclohexyl-3-hydroxy-4-piperidin-1-ylbutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(O)CN1CCCCC1
InChIInChI=1S/C20H38N2O3/c1-20(2,3)25-19(24)21-17(14-16-10-6-4-7-11-16)18(23)15-22-12-8-5-9-13-22/h16-18,23H,4-15H2,1-3H3,(H,21,24)/t17-,18?/m0/s1
InChIKeyWECRPRPMPUVTER-ZENAZSQFSA-N
XLogP3.70
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2S)-1-cyclohexyl-3-hydroxy-4-piperidin-1-ylbutan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(2S,3R)-4-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-4-cyclohexyl-2-hydroxybutyl]amino}-1-cyclohexyl-3-hydroxybutan-2-yl]carbamate
CID 455710
(S)-(-)-2-(tert-Butoxycarbonylamino)-3-cyclohexyl-1-propanol
CID 11043405
tert-butyl N-[(3R)-1-cyclohexyl-4-[[(2R)-4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-3-hydroxybutan-2-yl]carbamate
CID 44294557
N-Boc-L-cyclohexylglycinol
CID 16217740
tert-butyl N-[(2R,4R)-2-hydroxy-1-[[(2R,4S)-2-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]amino]-4-methylhexan-3-yl]carbamate
CID 44294467
N-Boc-D-cyclohexylglycinol
CID 12194289
tert-butyl N-[(1S,2R)-1-[(1R)-2-[[(2R,3S,4R)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-methyl-hexyl]amino]-1-hydroxy-ethyl]-2-methyl-butyl]carbamate
CID 455711
tert-butyl N-[2-hydroxy-1-[[2-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]amino]-4-methylhexan-3-yl]carbamate
CID 49823265
(R)-N-Boc-2-cyclohexylethanolamine
CID 11021104
Tert-butyl N-(1-cyclohexyl-2-hydroxyethyl)carbamate
CID 22037861
tert-butyl N-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-methylbutan-2-yl]carbamate
CID 102037529
tert-butyl (2R)-4-amino-2-heptyl-5-hydroxypiperidine-1-carboxylate
CID 134835812

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-cyclohexyl-3-hydroxy-4-piperidin-1-ylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-cyclohexyl-3-hydroxy-4-piperidin-1-ylbutan-2-yl]carbamate (CID 56982890) is tert-butyl N-[(2S)-1-cyclohexyl-3-hydroxy-4-piperidin-1-ylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-cyclohexyl-3-hydroxy-4-piperidin-1-ylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-cyclohexyl-3-hydroxy-4-piperidin-1-ylbutan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(O)CN1CCCCC1.
What is the InChIKey of tert-butyl N-[(2S)-1-cyclohexyl-3-hydroxy-4-piperidin-1-ylbutan-2-yl]carbamate?
The InChIKey is WECRPRPMPUVTER-ZENAZSQFSA-N. The full InChI is InChI=1S/C20H38N2O3/c1-20(2,3)25-19(24)21-17(14-16-10-6-4-7-11-16)18(23)15-22-12-8-5-9-13-22/h16-18,23H,4-15H2,1-3H3,(H,21,24)/t17-,18?/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-cyclohexyl-3-hydroxy-4-piperidin-1-ylbutan-2-yl]carbamate?
tert-butyl N-[(2S)-1-cyclohexyl-3-hydroxy-4-piperidin-1-ylbutan-2-yl]carbamate has a molecular weight of 354.54 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-cyclohexyl-3-hydroxy-4-piperidin-1-ylbutan-2-yl]carbamate is sourced from PubChem (CID 56982890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).