tert-butyl 4-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-3-methylpiperidine-1-carboxylate

C19H33NO5 — CID 167460636

IUPACtert-butyl 4-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-3-methylpiperidine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CCC1[C@H]1C[C@H](O)[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C19H33NO5/c1-11-10-20(17(22)25-18(2,3)4)8-7-12(11)13-9-14(21)16-15(13)23-19(5,6)24-16/h11-16,21H,7-10H2,1-6H3/t11?,12?,13-,14+,15-,16+/m1/s1
InChIKeyYZZNQHVDQPNULL-RIDGJEOASA-N
MW355.48 g/mol
LogP2.78
Rot. Bonds1

About tert-butyl 4-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-3-methylpiperidine-1-carboxylate

tert-butyl 4-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-3-methylpiperidine-1-carboxylate (PubChem CID 167460636) has the molecular formula C19H33NO5 and a molecular weight of 355.48 g/mol. Its IUPAC name is tert-butyl 4-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-3-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-3-methylpiperidine-1-carboxylate
PubChem CID167460636
Molecular FormulaC19H33NO5
Molecular Weight355.48 g/mol
Exact Mass355.24
IUPAC Nametert-butyl 4-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-3-methylpiperidine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CCC1[C@H]1C[C@H](O)[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C19H33NO5/c1-11-10-20(17(22)25-18(2,3)4)8-7-12(11)13-9-14(21)16-15(13)23-19(5,6)24-16/h11-16,21H,7-10H2,1-6H3/t11?,12?,13-,14+,15-,16+/m1/s1
InChIKeyYZZNQHVDQPNULL-RIDGJEOASA-N
XLogP2.78
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-3-methylpiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate
CID 118535016
tert-butyl 4-cyclopentyl-3-methylpiperidine-1-carboxylate
CID 167461657
tert-butyl (3R,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate
CID 67086934
tert-butyl 4-cyclopentyl-3-methylpiperidine-1-carboxylate;propane-2,2-diol
CID 167461656
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl (3S,4S)-4-hydroxy-3-methylazepane-1-carboxylate
CID 124523424
tert-butyl (4aR,8aS)-6,7-dihydroxy-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 127262569
tert-butyl (4aS,6S,7R,8aR)-6,7-dihydroxy-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 86338160
tert-butyl 3-(2,6-dimethylmorpholin-4-yl)pyrrolidine-1-carboxylate
CID 123619361
tert-butyl 3-(2,2-dimethylcyclopropyl)-4-methylpiperidine-1-carboxylate
CID 143539549
tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol
CID 145288050
tert-butyl (4S,5R)-4-hydroxy-5-methylazepane-1-carboxylate
CID 124523390

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-3-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-3-methylpiperidine-1-carboxylate (CID 167460636) is tert-butyl 4-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-3-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-3-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-3-methylpiperidine-1-carboxylate is CC1CN(C(=O)OC(C)(C)C)CCC1[C@H]1C[C@H](O)[C@@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of tert-butyl 4-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-3-methylpiperidine-1-carboxylate?
The InChIKey is YZZNQHVDQPNULL-RIDGJEOASA-N. The full InChI is InChI=1S/C19H33NO5/c1-11-10-20(17(22)25-18(2,3)4)8-7-12(11)13-9-14(21)16-15(13)23-19(5,6)24-16/h11-16,21H,7-10H2,1-6H3/t11?,12?,13-,14+,15-,16+/m1/s1.
What are the key properties of tert-butyl 4-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-3-methylpiperidine-1-carboxylate?
tert-butyl 4-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-3-methylpiperidine-1-carboxylate has a molecular weight of 355.48 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-3-methylpiperidine-1-carboxylate is sourced from PubChem (CID 167460636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).