tert-butyl N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidin-1-yl]ethyl]carbamate

C18H35BN2O4 — CID 142330523

IUPACtert-butyl N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidin-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCC(B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C18H35BN2O4/c1-16(2,3)23-15(22)20-10-13-21-11-8-14(9-12-21)19-24-17(4,5)18(6,7)25-19/h14H,8-13H2,1-7H3,(H,20,22)
InChIKeyUTTTZUAIQWZFPC-UHFFFAOYSA-N
MW354.30 g/mol
LogP3.07
Rot. Bonds4

About tert-butyl N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidin-1-yl]ethyl]carbamate

tert-butyl N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidin-1-yl]ethyl]carbamate (PubChem CID 142330523) has the molecular formula C18H35BN2O4 and a molecular weight of 354.30 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidin-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidin-1-yl]ethyl]carbamate
PubChem CID142330523
Molecular FormulaC18H35BN2O4
Molecular Weight354.30 g/mol
Exact Mass354.27
IUPAC Nametert-butyl N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidin-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCC(B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C18H35BN2O4/c1-16(2,3)23-15(22)20-10-13-21-11-8-14(9-12-21)19-24-17(4,5)18(6,7)25-19/h14H,8-13H2,1-7H3,(H,20,22)
InChIKeyUTTTZUAIQWZFPC-UHFFFAOYSA-N
XLogP3.07
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate
CID 103694373
3-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidin-4-yl]propanoic acid
CID 90457179
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethylcarbamic acid
CID 90951819
2-[9-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]acetic acid
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tert-butyl N-[2-(3,3-dimethylpiperazin-1-yl)ethyl]carbamate
CID 155978007
tert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate
CID 68676140
tert-butyl N-[2-(2-pyrrolidin-1-ylethylamino)ethyl]carbamate
CID 19420462
tert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate
CID 143014602
tert-butyl N-[2-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)ethyl]carbamate
CID 117274207
tert-butyl N-[2-(2-ethylpyrrolidin-1-yl)ethyl]carbamate
CID 68883286
2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidin-4-yl]oxyacetic acid
CID 138726762
tert-butyl N-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-piperidin-1-ylethyl)amino]ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidin-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidin-1-yl]ethyl]carbamate (CID 142330523) is tert-butyl N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidin-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidin-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidin-1-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCN1CCC(B2OC(C)(C)C(C)(C)O2)CC1.
What is the InChIKey of tert-butyl N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidin-1-yl]ethyl]carbamate?
The InChIKey is UTTTZUAIQWZFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35BN2O4/c1-16(2,3)23-15(22)20-10-13-21-11-8-14(9-12-21)19-24-17(4,5)18(6,7)25-19/h14H,8-13H2,1-7H3,(H,20,22).
What are the key properties of tert-butyl N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidin-1-yl]ethyl]carbamate?
tert-butyl N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidin-1-yl]ethyl]carbamate has a molecular weight of 354.30 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidin-1-yl]ethyl]carbamate is sourced from PubChem (CID 142330523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).