tert-butyl N-[5-(2-hydroxy-3-methylbutyl)-1-methylpiperidin-3-yl]carbamate

C16H32N2O3 — CID 112544280

IUPACtert-butyl N-[5-(2-hydroxy-3-methylbutyl)-1-methylpiperidin-3-yl]carbamate
SMILESCC(C)C(O)CC1CC(NC(=O)OC(C)(C)C)CN(C)C1
InChIInChI=1S/C16H32N2O3/c1-11(2)14(19)8-12-7-13(10-18(6)9-12)17-15(20)21-16(3,4)5/h11-14,19H,7-10H2,1-6H3,(H,17,20)
InChIKeyAHVINVIMUINXHV-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.24
Rot. Bonds4

About tert-butyl N-[5-(2-hydroxy-3-methylbutyl)-1-methylpiperidin-3-yl]carbamate

tert-butyl N-[5-(2-hydroxy-3-methylbutyl)-1-methylpiperidin-3-yl]carbamate (PubChem CID 112544280) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl N-[5-(2-hydroxy-3-methylbutyl)-1-methylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(2-hydroxy-3-methylbutyl)-1-methylpiperidin-3-yl]carbamate
PubChem CID112544280
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl N-[5-(2-hydroxy-3-methylbutyl)-1-methylpiperidin-3-yl]carbamate
SMILESCC(C)C(O)CC1CC(NC(=O)OC(C)(C)C)CN(C)C1
InChIInChI=1S/C16H32N2O3/c1-11(2)14(19)8-12-7-13(10-18(6)9-12)17-15(20)21-16(3,4)5/h11-14,19H,7-10H2,1-6H3,(H,17,20)
InChIKeyAHVINVIMUINXHV-UHFFFAOYSA-N
XLogP2.24
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[5-(2-hydroxy-3,3-dimethylbutyl)-1-methylpiperidin-3-yl]carbamate
CID 112543000
methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propan-2-ylpiperidin-3-yl]carbamate
CID 112543133
methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propylpiperidin-3-yl]carbamate
CID 112543067
methyl N-[1-acetyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate
CID 112543205
methyl N-[1-ethyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate
CID 112543038
3-methyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992078
1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]-3-methylbutan-2-ol
CID 83997613
tert-butyl N-[5-(2-cyclopropyl-2-hydroxyethyl)-1-propylpiperidin-3-yl]carbamate
CID 112544349
tert-butyl N-[1-cyclopropyl-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]carbamate
CID 112544633
tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2-hydroxybutyl)piperidin-3-yl]carbamate
CID 112544838
2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propylpiperidin-3-yl]acetic acid
CID 112544339
tert-butyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
CID 112544588

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(2-hydroxy-3-methylbutyl)-1-methylpiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(2-hydroxy-3-methylbutyl)-1-methylpiperidin-3-yl]carbamate (CID 112544280) is tert-butyl N-[5-(2-hydroxy-3-methylbutyl)-1-methylpiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(2-hydroxy-3-methylbutyl)-1-methylpiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(2-hydroxy-3-methylbutyl)-1-methylpiperidin-3-yl]carbamate is CC(C)C(O)CC1CC(NC(=O)OC(C)(C)C)CN(C)C1.
What is the InChIKey of tert-butyl N-[5-(2-hydroxy-3-methylbutyl)-1-methylpiperidin-3-yl]carbamate?
The InChIKey is AHVINVIMUINXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-11(2)14(19)8-12-7-13(10-18(6)9-12)17-15(20)21-16(3,4)5/h11-14,19H,7-10H2,1-6H3,(H,17,20).
What are the key properties of tert-butyl N-[5-(2-hydroxy-3-methylbutyl)-1-methylpiperidin-3-yl]carbamate?
tert-butyl N-[5-(2-hydroxy-3-methylbutyl)-1-methylpiperidin-3-yl]carbamate has a molecular weight of 300.44 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(2-hydroxy-3-methylbutyl)-1-methylpiperidin-3-yl]carbamate is sourced from PubChem (CID 112544280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).