tert-butyl 4-[(2S)-2-[(2R)-2-hydroxy-3-phenylmethoxypropyl]cyclopropyl]piperidine-1-carboxylate

C23H35NO4 — CID 67962174

IUPACtert-butyl 4-[(2S)-2-[(2R)-2-hydroxy-3-phenylmethoxypropyl]cyclopropyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2C[C@H]2C[C@@H](O)COCc2ccccc2)CC1
InChIInChI=1S/C23H35NO4/c1-23(2,3)28-22(26)24-11-9-18(10-12-24)21-14-19(21)13-20(25)16-27-15-17-7-5-4-6-8-17/h4-8,18-21,25H,9-16H2,1-3H3/t19-,20-,21?/m1/s1
InChIKeyXZLYJSUDLKEENJ-OSBQEZSISA-N
MW389.54 g/mol
LogP4.24
Rot. Bonds7

About tert-butyl 4-[(2S)-2-[(2R)-2-hydroxy-3-phenylmethoxypropyl]cyclopropyl]piperidine-1-carboxylate

tert-butyl 4-[(2S)-2-[(2R)-2-hydroxy-3-phenylmethoxypropyl]cyclopropyl]piperidine-1-carboxylate (PubChem CID 67962174) has the molecular formula C23H35NO4 and a molecular weight of 389.54 g/mol. Its IUPAC name is tert-butyl 4-[(2S)-2-[(2R)-2-hydroxy-3-phenylmethoxypropyl]cyclopropyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2S)-2-[(2R)-2-hydroxy-3-phenylmethoxypropyl]cyclopropyl]piperidine-1-carboxylate
PubChem CID67962174
Molecular FormulaC23H35NO4
Molecular Weight389.54 g/mol
Exact Mass389.26
IUPAC Nametert-butyl 4-[(2S)-2-[(2R)-2-hydroxy-3-phenylmethoxypropyl]cyclopropyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2C[C@H]2C[C@@H](O)COCc2ccccc2)CC1
InChIInChI=1S/C23H35NO4/c1-23(2,3)28-22(26)24-11-9-18(10-12-24)21-14-19(21)13-20(25)16-27-15-17-7-5-4-6-8-17/h4-8,18-21,25H,9-16H2,1-3H3/t19-,20-,21?/m1/s1
InChIKeyXZLYJSUDLKEENJ-OSBQEZSISA-N
XLogP4.24
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[(2S)-2-[(2R)-2-hydroxy-3-phenylmethoxypropyl]cyclopropyl]piperidine-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 4-[2-(phenylmethoxymethyl)cyclopropyl]piperidine-1-carboxylate
CID 58128527
tert-butyl 4-(4-hydroxy-5-phenylmethoxypent-1-enyl)piperidine-1-carboxylate
CID 123743477
tert-butyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate
CID 102417588
benzyl 4-[2-hydroxy-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperidine-1-carboxylate
CID 177321170
tert-butyl 4-[[2-(phenylmethoxymethyl)cyclopropyl]methyl]piperidine-1-carboxylate
CID 58128548
tert-butyl (3S)-3-[(2R)-2-(phenylmethoxymethyl)butoxy]pyrrolidine-1-carboxylate
CID 170594310
tert-butyl 4-[2-(hydroxymethyl)cyclopropyl]piperidine-1-carboxylate
CID 58128555
tert-butyl 4-[4-(4-phenylmethoxybutoxy)butoxy]piperidine-1-carboxylate
CID 134492988
benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfanylpiperidine-1-carboxylate
CID 129189016
tert-butyl 4-[2-[(4-bromo-3-fluorophenyl)methoxymethyl]cyclopropyl]piperidine-1-carboxylate
CID 78012886
tert-butyl 4-(1,1-difluoro-4-phenylmethoxybutyl)piperidine-1-carboxylate
CID 154612846
tert-butyl 4-(2-phenylmethoxyphenoxy)piperidine-1-carboxylate
CID 67313124

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2S)-2-[(2R)-2-hydroxy-3-phenylmethoxypropyl]cyclopropyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2S)-2-[(2R)-2-hydroxy-3-phenylmethoxypropyl]cyclopropyl]piperidine-1-carboxylate (CID 67962174) is tert-butyl 4-[(2S)-2-[(2R)-2-hydroxy-3-phenylmethoxypropyl]cyclopropyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2S)-2-[(2R)-2-hydroxy-3-phenylmethoxypropyl]cyclopropyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2S)-2-[(2R)-2-hydroxy-3-phenylmethoxypropyl]cyclopropyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C2C[C@H]2C[C@@H](O)COCc2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-[(2S)-2-[(2R)-2-hydroxy-3-phenylmethoxypropyl]cyclopropyl]piperidine-1-carboxylate?
The InChIKey is XZLYJSUDLKEENJ-OSBQEZSISA-N. The full InChI is InChI=1S/C23H35NO4/c1-23(2,3)28-22(26)24-11-9-18(10-12-24)21-14-19(21)13-20(25)16-27-15-17-7-5-4-6-8-17/h4-8,18-21,25H,9-16H2,1-3H3/t19-,20-,21?/m1/s1.
What are the key properties of tert-butyl 4-[(2S)-2-[(2R)-2-hydroxy-3-phenylmethoxypropyl]cyclopropyl]piperidine-1-carboxylate?
tert-butyl 4-[(2S)-2-[(2R)-2-hydroxy-3-phenylmethoxypropyl]cyclopropyl]piperidine-1-carboxylate has a molecular weight of 389.54 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2S)-2-[(2R)-2-hydroxy-3-phenylmethoxypropyl]cyclopropyl]piperidine-1-carboxylate is sourced from PubChem (CID 67962174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).