tert-butyl 4-anilinopiperidine-1-carboxylate;tert-butyl 4-(2,3-dihydro-1-benzofuran-5-ylamino)piperidine-1-carboxylate;N-cyclohexylaniline;N-cyclopentylaniline;N-cyclopentyl-4-methylaniline;N-cyclopentyl-3,4,5-trimethylaniline

C83H120N8O5 — CID 157406225

IUPACtert-butyl 4-anilinopiperidine-1-carboxylate;tert-butyl 4-(2,3-dihydro-1-benzofuran-5-ylamino)piperidine-1-carboxylate;N-cyclohexylaniline;N-cyclopentylaniline;N-cyclopentyl-4-methylaniline;N-cyclopentyl-3,4,5-trimethylaniline
SMILESCC(C)(C)OC(=O)N1CCC(Nc2ccc3c(c2)CCO3)CC1.CC(C)(C)OC(=O)N1CCC(Nc2ccccc2)CC1.Cc1cc(NC2CCCC2)cc(C)c1C.Cc1ccc(NC2CCCC2)cc1.c1ccc(NC2CCCC2)cc1.c1ccc(NC2CCCCC2)cc1
InChIInChI=1S/C18H26N2O3.C16H24N2O2.C14H21N.2C12H17N.C11H15N/c1-18(2,3)23-17(21)20-9-6-14(7-10-20)19-15-4-5-16-13(12-15)8-11-22-16;1-16(2,3)20-15(19)18-11-9-14(10-12-18)17-13-7-5-4-6-8-13;1-10-8-14(9-11(2)12(10)3)15-13-6-4-5-7-13;1-10-6-8-12(9-7-10)13-11-4-2-3-5-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-6-10(7-3-1)12-11-8-4-5-9-11/h4-5,12,14,19H,6-11H2,1-3H3;4-8,14,17H,9-12H2,1-3H3;8-9,13,15H,4-7H2,1-3H3;6-9,11,13H,2-5H2,1H3;1,3-4,7-8,12-13H,2,5-6,9-10H2;1-3,6-7,11-12H,4-5,8-9H2
InChIKeyBNTBJPUSFYBUED-UHFFFAOYSA-N
MW1309.92 g/mol
LogP20.72
Rot. Bonds12

About tert-butyl 4-anilinopiperidine-1-carboxylate;tert-butyl 4-(2,3-dihydro-1-benzofuran-5-ylamino)piperidine-1-carboxylate;N-cyclohexylaniline;N-cyclopentylaniline;N-cyclopentyl-4-methylaniline;N-cyclopentyl-3,4,5-trimethylaniline

tert-butyl 4-anilinopiperidine-1-carboxylate;tert-butyl 4-(2,3-dihydro-1-benzofuran-5-ylamino)piperidine-1-carboxylate;N-cyclohexylaniline;N-cyclopentylaniline;N-cyclopentyl-4-methylaniline;N-cyclopentyl-3,4,5-trimethylaniline (PubChem CID 157406225) has the molecular formula C83H120N8O5 and a molecular weight of 1309.92 g/mol. Its IUPAC name is tert-butyl 4-anilinopiperidine-1-carboxylate;tert-butyl 4-(2,3-dihydro-1-benzofuran-5-ylamino)piperidine-1-carboxylate;N-cyclohexylaniline;N-cyclopentylaniline;N-cyclopentyl-4-methylaniline;N-cyclopentyl-3,4,5-trimethylaniline.

Molecular Properties

Compound Nametert-butyl 4-anilinopiperidine-1-carboxylate;tert-butyl 4-(2,3-dihydro-1-benzofuran-5-ylamino)piperidine-1-carboxylate;N-cyclohexylaniline;N-cyclopentylaniline;N-cyclopentyl-4-methylaniline;N-cyclopentyl-3,4,5-trimethylaniline
PubChem CID157406225
Molecular FormulaC83H120N8O5
Molecular Weight1309.92 g/mol
Exact Mass1308.94
IUPAC Nametert-butyl 4-anilinopiperidine-1-carboxylate;tert-butyl 4-(2,3-dihydro-1-benzofuran-5-ylamino)piperidine-1-carboxylate;N-cyclohexylaniline;N-cyclopentylaniline;N-cyclopentyl-4-methylaniline;N-cyclopentyl-3,4,5-trimethylaniline
SMILESCC(C)(C)OC(=O)N1CCC(Nc2ccc3c(c2)CCO3)CC1.CC(C)(C)OC(=O)N1CCC(Nc2ccccc2)CC1.Cc1cc(NC2CCCC2)cc(C)c1C.Cc1ccc(NC2CCCC2)cc1.c1ccc(NC2CCCC2)cc1.c1ccc(NC2CCCCC2)cc1
InChIInChI=1S/C18H26N2O3.C16H24N2O2.C14H21N.2C12H17N.C11H15N/c1-18(2,3)23-17(21)20-9-6-14(7-10-20)19-15-4-5-16-13(12-15)8-11-22-16;1-16(2,3)20-15(19)18-11-9-14(10-12-18)17-13-7-5-4-6-8-13;1-10-8-14(9-11(2)12(10)3)15-13-6-4-5-7-13;1-10-6-8-12(9-7-10)13-11-4-2-3-5-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-6-10(7-3-1)12-11-8-4-5-9-11/h4-5,12,14,19H,6-11H2,1-3H3;4-8,14,17H,9-12H2,1-3H3;8-9,13,15H,4-7H2,1-3H3;6-9,11,13H,2-5H2,1H3;1,3-4,7-8,12-13H,2,5-6,9-10H2;1-3,6-7,11-12H,4-5,8-9H2
InChIKeyBNTBJPUSFYBUED-UHFFFAOYSA-N
XLogP20.72
TPSA140.49 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001309.92
LogP ≤ 520.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze tert-butyl 4-anilinopiperidine-1-carboxylate;tert-butyl 4-(2,3-dihydro-1-benzofuran-5-ylamino)piperidine-1-carboxylate;N-cyclohexylaniline;N-cyclopentylaniline;N-cyclopentyl-4-methylaniline;N-cyclopentyl-3,4,5-trimethylaniline with MolForge

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Launch Full Analysis

Related Compounds

4-benzyl-N-tert-butylcyclohexan-1-amine;N-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-amine;N-tert-butyl-1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-amine;N-tert-butyl-1-(2,2-diphenylethyl)piperidin-4-amine;N-tert-butyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine;N-tert-butyl-3-methylaniline;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;ethyl 4-(tert-butylamino)piperidine-1-carboxylate
CID 158194055
N-tert-butylcyclohexanamine;N-tert-butylcyclopentanamine;N-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-amine;N-tert-butyl-1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-amine;N-tert-butyl-1-(2,2-diphenylethyl)piperidin-4-amine;N-tert-butyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine;N-tert-butyl-6-methylheptan-2-amine;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;N-(2-cyclohex-2-en-1-ylethyl)-2-methylpropan-2-amine;ethyl 4-(tert-butylamino)piperidine-1-carboxylate;N-ethyl-2-methylpropan-2-amine;methane
CID 160044085
4-benzyl-N-tert-butylcyclohexan-1-amine;N-tert-butylcyclohexanamine;N-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-amine;N-tert-butyl-1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-amine;N-tert-butyl-1-(2,2-diphenylethyl)piperidin-4-amine;N-tert-butyl-4-methoxyaniline;N-tert-butyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine;N-tert-butyl-3-methylaniline;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;ethyl 4-(tert-butylamino)piperidine-1-carboxylate
CID 161576512
tert-butyl N-[1-[3-[3-[(2-ethylphenoxy)methyl]-5-(3-oxa-9-azaspiro[5.5]undecan-9-yl)phenyl]phenyl]ethyl]carbamate
CID 172524364

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-anilinopiperidine-1-carboxylate;tert-butyl 4-(2,3-dihydro-1-benzofuran-5-ylamino)piperidine-1-carboxylate;N-cyclohexylaniline;N-cyclopentylaniline;N-cyclopentyl-4-methylaniline;N-cyclopentyl-3,4,5-trimethylaniline?
The IUPAC name of tert-butyl 4-anilinopiperidine-1-carboxylate;tert-butyl 4-(2,3-dihydro-1-benzofuran-5-ylamino)piperidine-1-carboxylate;N-cyclohexylaniline;N-cyclopentylaniline;N-cyclopentyl-4-methylaniline;N-cyclopentyl-3,4,5-trimethylaniline (CID 157406225) is tert-butyl 4-anilinopiperidine-1-carboxylate;tert-butyl 4-(2,3-dihydro-1-benzofuran-5-ylamino)piperidine-1-carboxylate;N-cyclohexylaniline;N-cyclopentylaniline;N-cyclopentyl-4-methylaniline;N-cyclopentyl-3,4,5-trimethylaniline.
What is the SMILES notation for tert-butyl 4-anilinopiperidine-1-carboxylate;tert-butyl 4-(2,3-dihydro-1-benzofuran-5-ylamino)piperidine-1-carboxylate;N-cyclohexylaniline;N-cyclopentylaniline;N-cyclopentyl-4-methylaniline;N-cyclopentyl-3,4,5-trimethylaniline?
The canonical SMILES for tert-butyl 4-anilinopiperidine-1-carboxylate;tert-butyl 4-(2,3-dihydro-1-benzofuran-5-ylamino)piperidine-1-carboxylate;N-cyclohexylaniline;N-cyclopentylaniline;N-cyclopentyl-4-methylaniline;N-cyclopentyl-3,4,5-trimethylaniline is CC(C)(C)OC(=O)N1CCC(Nc2ccc3c(c2)CCO3)CC1.CC(C)(C)OC(=O)N1CCC(Nc2ccccc2)CC1.Cc1cc(NC2CCCC2)cc(C)c1C.Cc1ccc(NC2CCCC2)cc1.c1ccc(NC2CCCC2)cc1.c1ccc(NC2CCCCC2)cc1.
What is the InChIKey of tert-butyl 4-anilinopiperidine-1-carboxylate;tert-butyl 4-(2,3-dihydro-1-benzofuran-5-ylamino)piperidine-1-carboxylate;N-cyclohexylaniline;N-cyclopentylaniline;N-cyclopentyl-4-methylaniline;N-cyclopentyl-3,4,5-trimethylaniline?
The InChIKey is BNTBJPUSFYBUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.C16H24N2O2.C14H21N.2C12H17N.C11H15N/c1-18(2,3)23-17(21)20-9-6-14(7-10-20)19-15-4-5-16-13(12-15)8-11-22-16;1-16(2,3)20-15(19)18-11-9-14(10-12-18)17-13-7-5-4-6-8-13;1-10-8-14(9-11(2)12(10)3)15-13-6-4-5-7-13;1-10-6-8-12(9-7-10)13-11-4-2-3-5-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-6-10(7-3-1)12-11-8-4-5-9-11/h4-5,12,14,19H,6-11H2,1-3H3;4-8,14,17H,9-12H2,1-3H3;8-9,13,15H,4-7H2,1-3H3;6-9,11,13H,2-5H2,1H3;1,3-4,7-8,12-13H,2,5-6,9-10H2;1-3,6-7,11-12H,4-5,8-9H2.
What are the key properties of tert-butyl 4-anilinopiperidine-1-carboxylate;tert-butyl 4-(2,3-dihydro-1-benzofuran-5-ylamino)piperidine-1-carboxylate;N-cyclohexylaniline;N-cyclopentylaniline;N-cyclopentyl-4-methylaniline;N-cyclopentyl-3,4,5-trimethylaniline?
tert-butyl 4-anilinopiperidine-1-carboxylate;tert-butyl 4-(2,3-dihydro-1-benzofuran-5-ylamino)piperidine-1-carboxylate;N-cyclohexylaniline;N-cyclopentylaniline;N-cyclopentyl-4-methylaniline;N-cyclopentyl-3,4,5-trimethylaniline has a molecular weight of 1309.92 g/mol, XLogP of 20.72, 12 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-anilinopiperidine-1-carboxylate;tert-butyl 4-(2,3-dihydro-1-benzofuran-5-ylamino)piperidine-1-carboxylate;N-cyclohexylaniline;N-cyclopentylaniline;N-cyclopentyl-4-methylaniline;N-cyclopentyl-3,4,5-trimethylaniline is sourced from PubChem (CID 157406225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).