tert-butyl N-[1-[2-hydroxy-3-(N-methylanilino)propyl]piperidin-4-yl]carbamate

C20H33N3O3 — CID 130198895

IUPACtert-butyl N-[1-[2-hydroxy-3-(N-methylanilino)propyl]piperidin-4-yl]carbamate
SMILESCN(CC(O)CN1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1
InChIInChI=1S/C20H33N3O3/c1-20(2,3)26-19(25)21-16-10-12-23(13-11-16)15-18(24)14-22(4)17-8-6-5-7-9-17/h5-9,16,18,24H,10-15H2,1-4H3,(H,21,25)
InChIKeySUDRAGIUHICUMG-UHFFFAOYSA-N
MW363.50 g/mol
LogP2.47
Rot. Bonds6

About tert-butyl N-[1-[2-hydroxy-3-(N-methylanilino)propyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[2-hydroxy-3-(N-methylanilino)propyl]piperidin-4-yl]carbamate (PubChem CID 130198895) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is tert-butyl N-[1-[2-hydroxy-3-(N-methylanilino)propyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-hydroxy-3-(N-methylanilino)propyl]piperidin-4-yl]carbamate
PubChem CID130198895
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Nametert-butyl N-[1-[2-hydroxy-3-(N-methylanilino)propyl]piperidin-4-yl]carbamate
SMILESCN(CC(O)CN1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1
InChIInChI=1S/C20H33N3O3/c1-20(2,3)26-19(25)21-16-10-12-23(13-11-16)15-18(24)14-22(4)17-8-6-5-7-9-17/h5-9,16,18,24H,10-15H2,1-4H3,(H,21,25)
InChIKeySUDRAGIUHICUMG-UHFFFAOYSA-N
XLogP2.47
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]carbamate
CID 86330277
tert-butyl N-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]carbamate
CID 56771223
tert-butyl N-[1-[[2-[methyl(propan-2-yl)amino]phenyl]methyl]piperidin-4-yl]carbamate
CID 58006279
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
tert-butyl N-[1-[[4-[(E)-2-phenylethenyl]phenyl]methyl]piperidin-4-yl]carbamate
CID 129121860
tert-butyl N-[1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]piperidin-4-yl]carbamate
CID 55989113
tert-butyl N-[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-4-yl]carbamate
CID 56771205
tert-butyl N-[1-(2-pyrrolidin-1-ylphenyl)piperidin-4-yl]carbamate
CID 168513935
tert-butyl N-[1-(benzenesulfonyl)piperidin-4-yl]carbamate
CID 46318295
tert-butyl N-[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]carbamate
CID 56771206
tert-butyl N-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]carbamate
CID 111487928
tert-butyl N-[1-[(4-methylquinazolin-2-yl)methyl]piperidin-4-yl]carbamate
CID 60512788

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-hydroxy-3-(N-methylanilino)propyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-hydroxy-3-(N-methylanilino)propyl]piperidin-4-yl]carbamate (CID 130198895) is tert-butyl N-[1-[2-hydroxy-3-(N-methylanilino)propyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-hydroxy-3-(N-methylanilino)propyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-hydroxy-3-(N-methylanilino)propyl]piperidin-4-yl]carbamate is CN(CC(O)CN1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1.
What is the InChIKey of tert-butyl N-[1-[2-hydroxy-3-(N-methylanilino)propyl]piperidin-4-yl]carbamate?
The InChIKey is SUDRAGIUHICUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-20(2,3)26-19(25)21-16-10-12-23(13-11-16)15-18(24)14-22(4)17-8-6-5-7-9-17/h5-9,16,18,24H,10-15H2,1-4H3,(H,21,25).
What are the key properties of tert-butyl N-[1-[2-hydroxy-3-(N-methylanilino)propyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[2-hydroxy-3-(N-methylanilino)propyl]piperidin-4-yl]carbamate has a molecular weight of 363.50 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-hydroxy-3-(N-methylanilino)propyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 130198895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).