tert-butyl N-[1-[2-[(3R,5S)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]carbamate

C19H37N3O3 — CID 59600150

IUPACtert-butyl N-[1-[2-[(3R,5S)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]carbamate
SMILESC[C@@H]1CN(CCN2CCC(NC(=O)OC(C)(C)C)CC2)C[C@H](C)C1O
InChIInChI=1S/C19H37N3O3/c1-14-12-22(13-15(2)17(14)23)11-10-21-8-6-16(7-9-21)20-18(24)25-19(3,4)5/h14-17,23H,6-13H2,1-5H3,(H,20,24)/t14-,15+,17?
InChIKeyUGCYNYAPJPEZHF-FKEKPDDDSA-N
MW355.52 g/mol
LogP1.92
Rot. Bonds4

About tert-butyl N-[1-[2-[(3R,5S)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[2-[(3R,5S)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]carbamate (PubChem CID 59600150) has the molecular formula C19H37N3O3 and a molecular weight of 355.52 g/mol. Its IUPAC name is tert-butyl N-[1-[2-[(3R,5S)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-[(3R,5S)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]carbamate
PubChem CID59600150
Molecular FormulaC19H37N3O3
Molecular Weight355.52 g/mol
Exact Mass355.28
IUPAC Nametert-butyl N-[1-[2-[(3R,5S)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]carbamate
SMILESC[C@@H]1CN(CCN2CCC(NC(=O)OC(C)(C)C)CC2)C[C@H](C)C1O
InChIInChI=1S/C19H37N3O3/c1-14-12-22(13-15(2)17(14)23)11-10-21-8-6-16(7-9-21)20-18(24)25-19(3,4)5/h14-17,23H,6-13H2,1-5H3,(H,20,24)/t14-,15+,17?
InChIKeyUGCYNYAPJPEZHF-FKEKPDDDSA-N
XLogP1.92
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-[(3R,5S)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-[(3R,5S)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]carbamate (CID 59600150) is tert-butyl N-[1-[2-[(3R,5S)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-[(3R,5S)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-[(3R,5S)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]carbamate is C[C@@H]1CN(CCN2CCC(NC(=O)OC(C)(C)C)CC2)C[C@H](C)C1O.
What is the InChIKey of tert-butyl N-[1-[2-[(3R,5S)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]carbamate?
The InChIKey is UGCYNYAPJPEZHF-FKEKPDDDSA-N. The full InChI is InChI=1S/C19H37N3O3/c1-14-12-22(13-15(2)17(14)23)11-10-21-8-6-16(7-9-21)20-18(24)25-19(3,4)5/h14-17,23H,6-13H2,1-5H3,(H,20,24)/t14-,15+,17?.
What are the key properties of tert-butyl N-[1-[2-[(3R,5S)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[2-[(3R,5S)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]carbamate has a molecular weight of 355.52 g/mol, XLogP of 1.92, 4 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-[(3R,5S)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 59600150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).