tert-butyl 2-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate

C23H34N2O2 — CID 122463534

IUPACtert-butyl 2-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CNC1CC12CCCc1ccccc12
InChIInChI=1S/C23H34N2O2/c1-22(2,3)27-21(26)25-14-7-6-11-18(25)16-24-20-15-23(20)13-8-10-17-9-4-5-12-19(17)23/h4-5,9,12,18,20,24H,6-8,10-11,13-16H2,1-3H3
InChIKeyURMILBPFUSCMSL-UHFFFAOYSA-N
MW370.54 g/mol
LogP4.41
Rot. Bonds3

About tert-butyl 2-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate

tert-butyl 2-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate (PubChem CID 122463534) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is tert-butyl 2-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate
PubChem CID122463534
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Nametert-butyl 2-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CNC1CC12CCCc1ccccc12
InChIInChI=1S/C23H34N2O2/c1-22(2,3)27-21(26)25-14-7-6-11-18(25)16-24-20-15-23(20)13-8-10-17-9-4-5-12-19(17)23/h4-5,9,12,18,20,24H,6-8,10-11,13-16H2,1-3H3
InChIKeyURMILBPFUSCMSL-UHFFFAOYSA-N
XLogP4.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate with MolForge

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Related Compounds

Tert-butyl 4-(aminomethyl)-4-phenylpiperidine-1-carboxylate
CID 10565452
tert-butyl N-[2-[[1-(2-phenylethyl)piperidin-4-yl]amino]ethyl]carbamate
CID 53323967
Reductive Amination
CID 122442988
US10301253, Example 36
CID 122463378
US10301253, Example 103
CID 122463433
(R)-1-Boc-2-benzylpiperazine
CID 24820557
(4-Phenylpiperidin-4-ylmethyl)carbamic acid tert-butyl ester
CID 49760176
tert-butyl N-[1-(3-cyano-3,3-diphenylpropyl)piperidin-4-yl]carbamate
CID 71455851
Tert-butyl 5-benzyl-2-propan-2-ylpiperazine-1-carboxylate
CID 134787667
tert-butyl N-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]ethyl]carbamate
CID 10158888
rac-tert-butyl (3R,4S)-3-amino-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 39872120
Tert-butyl 3-(4-tert-butylphenyl)piperazine-1-carboxylate
CID 72210139

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate (CID 122463534) is tert-butyl 2-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1CNC1CC12CCCc1ccccc12.
What is the InChIKey of tert-butyl 2-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate?
The InChIKey is URMILBPFUSCMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-22(2,3)27-21(26)25-14-7-6-11-18(25)16-24-20-15-23(20)13-8-10-17-9-4-5-12-19(17)23/h4-5,9,12,18,20,24H,6-8,10-11,13-16H2,1-3H3.
What are the key properties of tert-butyl 2-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate?
tert-butyl 2-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate has a molecular weight of 370.54 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 122463534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).