N-benzyl-2,6-dimethylpiperidin-4-amine;tert-butyl carbamate

C19H33N3O2 — CID 162005885

IUPACN-benzyl-2,6-dimethylpiperidin-4-amine;tert-butyl carbamate
SMILESCC(C)(C)OC(N)=O.CC1CC(NCc2ccccc2)CC(C)N1
InChIInChI=1S/C14H22N2.C5H11NO2/c1-11-8-14(9-12(2)16-11)15-10-13-6-4-3-5-7-13;1-5(2,3)8-4(6)7/h3-7,11-12,14-16H,8-10H2,1-2H3;1-3H3,(H2,6,7)
InChIKeyYSVCWKJABCIZRI-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.19
Rot. Bonds3

About N-benzyl-2,6-dimethylpiperidin-4-amine;tert-butyl carbamate

N-benzyl-2,6-dimethylpiperidin-4-amine;tert-butyl carbamate (PubChem CID 162005885) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is N-benzyl-2,6-dimethylpiperidin-4-amine;tert-butyl carbamate.

Molecular Properties

Compound NameN-benzyl-2,6-dimethylpiperidin-4-amine;tert-butyl carbamate
PubChem CID162005885
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC NameN-benzyl-2,6-dimethylpiperidin-4-amine;tert-butyl carbamate
SMILESCC(C)(C)OC(N)=O.CC1CC(NCc2ccccc2)CC(C)N1
InChIInChI=1S/C14H22N2.C5H11NO2/c1-11-8-14(9-12(2)16-11)15-10-13-6-4-3-5-7-13;1-5(2,3)8-4(6)7/h3-7,11-12,14-16H,8-10H2,1-2H3;1-3H3,(H2,6,7)
InChIKeyYSVCWKJABCIZRI-UHFFFAOYSA-N
XLogP3.19
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (5R)-3-(benzylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 146439320
tert-butyl N-[5-(benzylamino)-2-methylcyclohexyl]carbamate
CID 68550371
tert-butyl 7-(benzylamino)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 18507079
tert-butyl carbamate;propylbenzene
CID 146635957
tert-butyl carbamate;2-phenylethyl carbamate
CID 142108258
tert-butyl N-benzyl-N-[5-(benzylamino)-1,1-dioxothian-3-yl]carbamate
CID 168885821
N-benzyl-8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid
CID 68843110
N-benzyl-2,6-diethylpiperidin-4-amine
CID 174569983
methyl (1S)-3-(benzylamino)cyclopentane-1-carboxylate
CID 54515313
methyl 3-(benzylamino)cyclopentane-1-carboxylate
CID 67382791
tert-butyl N-[4-(benzylamino)cyclohex-2-en-1-yl]carbamate
CID 130003473
tert-butyl N-[3-[(4-chlorophenyl)methylamino]cyclobutyl]carbamate
CID 80558975

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,6-dimethylpiperidin-4-amine;tert-butyl carbamate?
The IUPAC name of N-benzyl-2,6-dimethylpiperidin-4-amine;tert-butyl carbamate (CID 162005885) is N-benzyl-2,6-dimethylpiperidin-4-amine;tert-butyl carbamate.
What is the SMILES notation for N-benzyl-2,6-dimethylpiperidin-4-amine;tert-butyl carbamate?
The canonical SMILES for N-benzyl-2,6-dimethylpiperidin-4-amine;tert-butyl carbamate is CC(C)(C)OC(N)=O.CC1CC(NCc2ccccc2)CC(C)N1.
What is the InChIKey of N-benzyl-2,6-dimethylpiperidin-4-amine;tert-butyl carbamate?
The InChIKey is YSVCWKJABCIZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.C5H11NO2/c1-11-8-14(9-12(2)16-11)15-10-13-6-4-3-5-7-13;1-5(2,3)8-4(6)7/h3-7,11-12,14-16H,8-10H2,1-2H3;1-3H3,(H2,6,7).
What are the key properties of N-benzyl-2,6-dimethylpiperidin-4-amine;tert-butyl carbamate?
N-benzyl-2,6-dimethylpiperidin-4-amine;tert-butyl carbamate has a molecular weight of 335.49 g/mol, XLogP of 3.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,6-dimethylpiperidin-4-amine;tert-butyl carbamate is sourced from PubChem (CID 162005885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).