tert-butyl N-[(2R,4S)-4-methyl-2-piperidin-4-ylhexyl]carbamate

C17H34N2O2 — CID 95241766

IUPACtert-butyl N-[(2R,4S)-4-methyl-2-piperidin-4-ylhexyl]carbamate
SMILESCC[C@H](C)C[C@@H](CNC(=O)OC(C)(C)C)C1CCNCC1
InChIInChI=1S/C17H34N2O2/c1-6-13(2)11-15(14-7-9-18-10-8-14)12-19-16(20)21-17(3,4)5/h13-15,18H,6-12H2,1-5H3,(H,19,20)/t13-,15-/m0/s1
InChIKeyXFMDWAFTFJDMOM-ZFWWWQNUSA-N
MW298.47 g/mol
LogP3.56
Rot. Bonds6

About tert-butyl N-[(2R,4S)-4-methyl-2-piperidin-4-ylhexyl]carbamate

tert-butyl N-[(2R,4S)-4-methyl-2-piperidin-4-ylhexyl]carbamate (PubChem CID 95241766) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is tert-butyl N-[(2R,4S)-4-methyl-2-piperidin-4-ylhexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,4S)-4-methyl-2-piperidin-4-ylhexyl]carbamate
PubChem CID95241766
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nametert-butyl N-[(2R,4S)-4-methyl-2-piperidin-4-ylhexyl]carbamate
SMILESCC[C@H](C)C[C@@H](CNC(=O)OC(C)(C)C)C1CCNCC1
InChIInChI=1S/C17H34N2O2/c1-6-13(2)11-15(14-7-9-18-10-8-14)12-19-16(20)21-17(3,4)5/h13-15,18H,6-12H2,1-5H3,(H,19,20)/t13-,15-/m0/s1
InChIKeyXFMDWAFTFJDMOM-ZFWWWQNUSA-N
XLogP3.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-piperidin-4-yloxybutyl)carbamate
CID 176922632
tert-butyl N-(4-methyl-2-piperidin-2-ylheptyl)carbamate
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tert-butyl N-(3-amino-2-cyclopropylpropyl)carbamate
CID 84723673
tert-butyl N-[(2S)-2-[(3R)-2-oxopyrrolidin-3-yl]butyl]carbamate
CID 23245298
tert-butyl N-(3-amino-2,2-dimethyl-3-piperidin-4-ylpropyl)carbamate
CID 115052275
tert-butyl N-[2-(5-propan-2-ylazepan-4-yl)ethyl]carbamate
CID 84813188
tert-butyl N-(1-piperidin-4-ylethylamino)carbamate
CID 130856094
tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate
CID 103785747
tert-butyl N-[2-(piperidin-4-ylamino)hexyl]carbamate
CID 107256495
tert-butyl N-[2-(azepan-4-ylamino)-2-cyclopropylethyl]carbamate
CID 107251793
tert-butyl N-[2-(2-methylbutylamino)propyl]carbamate
CID 103389833
tert-butyl N-[2-(1-cyclopropylethylamino)-4-methylpentyl]carbamate
CID 103729667

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,4S)-4-methyl-2-piperidin-4-ylhexyl]carbamate?
The IUPAC name of tert-butyl N-[(2R,4S)-4-methyl-2-piperidin-4-ylhexyl]carbamate (CID 95241766) is tert-butyl N-[(2R,4S)-4-methyl-2-piperidin-4-ylhexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,4S)-4-methyl-2-piperidin-4-ylhexyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,4S)-4-methyl-2-piperidin-4-ylhexyl]carbamate is CC[C@H](C)C[C@@H](CNC(=O)OC(C)(C)C)C1CCNCC1.
What is the InChIKey of tert-butyl N-[(2R,4S)-4-methyl-2-piperidin-4-ylhexyl]carbamate?
The InChIKey is XFMDWAFTFJDMOM-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-6-13(2)11-15(14-7-9-18-10-8-14)12-19-16(20)21-17(3,4)5/h13-15,18H,6-12H2,1-5H3,(H,19,20)/t13-,15-/m0/s1.
What are the key properties of tert-butyl N-[(2R,4S)-4-methyl-2-piperidin-4-ylhexyl]carbamate?
tert-butyl N-[(2R,4S)-4-methyl-2-piperidin-4-ylhexyl]carbamate has a molecular weight of 298.47 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,4S)-4-methyl-2-piperidin-4-ylhexyl]carbamate is sourced from PubChem (CID 95241766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).