tert-butyl N-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]carbamate

C13H26N2O3 — CID 86330277

IUPACtert-butyl N-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]carbamate
SMILESC[C@H](O)CN1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O3/c1-10(16)9-15-7-5-11(6-8-15)14-12(17)18-13(2,3)4/h10-11,16H,5-9H2,1-4H3,(H,14,17)/t10-/m0/s1
InChIKeyRILCRPPNPSBVRQ-JTQLQIEISA-N
MW258.36 g/mol
LogP1.36
Rot. Bonds3

About tert-butyl N-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]carbamate (PubChem CID 86330277) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is tert-butyl N-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]carbamate
PubChem CID86330277
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nametert-butyl N-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]carbamate
SMILESC[C@H](O)CN1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O3/c1-10(16)9-15-7-5-11(6-8-15)14-12(17)18-13(2,3)4/h10-11,16H,5-9H2,1-4H3,(H,14,17)/t10-/m0/s1
InChIKeyRILCRPPNPSBVRQ-JTQLQIEISA-N
XLogP1.36
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-(2-methylpropyl)pyrrolidin-3-yl]carbamate
CID 75993976
methyl N-[1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]carbamate
CID 106932880
tert-butyl N-[1-(cyclopropylmethyl)piperidin-4-yl]carbamate
CID 53255882
tert-butyl N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate
CID 22562166
tert-butyl N-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]carbamate
CID 56771223
[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methanesulfinic acid
CID 174605400
tert-butyl N-[1-(oxiran-2-ylmethyl)piperidin-4-yl]carbamate
CID 87133691
tert-butyl N-[1-(thiiran-2-ylmethyl)piperidin-4-yl]carbamate
CID 86662008
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethylcarbamic acid
CID 90951819
tert-butyl N-[1-(2-ethylsulfanylethyl)piperidin-4-yl]carbamate
CID 69118169
tert-butyl N-[1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]piperidin-4-yl]carbamate
CID 55989113

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]carbamate (CID 86330277) is tert-butyl N-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]carbamate is C[C@H](O)CN1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]carbamate?
The InChIKey is RILCRPPNPSBVRQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10(16)9-15-7-5-11(6-8-15)14-12(17)18-13(2,3)4/h10-11,16H,5-9H2,1-4H3,(H,14,17)/t10-/m0/s1.
What are the key properties of tert-butyl N-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]carbamate has a molecular weight of 258.36 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 86330277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).