tert-butyl N-[(3R,4R)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-4-yl]carbamate

C16H34N2O3Si — CID 71063801

IUPACtert-butyl N-[(3R,4R)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCNC[C@H]1CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C16H34N2O3Si/c1-15(2,3)21-14(19)18-13-8-9-17-11-12(13)10-16(4,5)22(6,7)20/h12-13,17,20H,8-11H2,1-7H3,(H,18,19)/t12-,13-/m1/s1
InChIKeyVYIHNZLNUHWLBR-CHWSQXEVSA-N
MW330.55 g/mol
LogP2.86
Rot. Bonds4

About tert-butyl N-[(3R,4R)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-4-yl]carbamate

tert-butyl N-[(3R,4R)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-4-yl]carbamate (PubChem CID 71063801) has the molecular formula C16H34N2O3Si and a molecular weight of 330.55 g/mol. Its IUPAC name is tert-butyl N-[(3R,4R)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4R)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-4-yl]carbamate
PubChem CID71063801
Molecular FormulaC16H34N2O3Si
Molecular Weight330.55 g/mol
Exact Mass330.23
IUPAC Nametert-butyl N-[(3R,4R)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCNC[C@H]1CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C16H34N2O3Si/c1-15(2,3)21-14(19)18-13-8-9-17-11-12(13)10-16(4,5)22(6,7)20/h12-13,17,20H,8-11H2,1-7H3,(H,18,19)/t12-,13-/m1/s1
InChIKeyVYIHNZLNUHWLBR-CHWSQXEVSA-N
XLogP2.86
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.55
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(3R)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-3-yl]carbamate
CID 174031687
[(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid
CID 69017541
tert-butyl N-[4-(methoxymethyl)piperidin-3-yl]carbamate
CID 166561133
tert-butyl N-(3-methoxypiperidin-4-yl)carbamate
CID 76599311
tert-butyl N-(4-aminopiperidin-3-yl)carbamate;hydrochloride
CID 155892811
tert-butyl N-[(3S,4R)-4-propylpiperidin-3-yl]carbamate
CID 130763732
tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118178604
tert-butyl N-[(4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118297090
methyl (3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
CID 96884692
tert-butyl N-[(3R,4S)-3-hydroxypiperidin-4-yl]carbamate;carbamic acid
CID 69182337
tert-butyl N-(5-fluoroazepan-4-yl)carbamate
CID 86680071
tert-butyl N-[(3R,4R)-4-ethylpyrrolidin-3-yl]carbamate
CID 22871836

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4R)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,4R)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-4-yl]carbamate (CID 71063801) is tert-butyl N-[(3R,4R)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,4R)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,4R)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCNC[C@H]1CC(C)(C)[Si](C)(C)O.
What is the InChIKey of tert-butyl N-[(3R,4R)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-4-yl]carbamate?
The InChIKey is VYIHNZLNUHWLBR-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H34N2O3Si/c1-15(2,3)21-14(19)18-13-8-9-17-11-12(13)10-16(4,5)22(6,7)20/h12-13,17,20H,8-11H2,1-7H3,(H,18,19)/t12-,13-/m1/s1.
What are the key properties of tert-butyl N-[(3R,4R)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-4-yl]carbamate?
tert-butyl N-[(3R,4R)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-4-yl]carbamate has a molecular weight of 330.55 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,4R)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 71063801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).