tert-butyl N-[1-[[2-[methyl(propan-2-yl)amino]phenyl]methyl]piperidin-4-yl]carbamate

C21H35N3O2 — CID 58006279

IUPACtert-butyl N-[1-[[2-[methyl(propan-2-yl)amino]phenyl]methyl]piperidin-4-yl]carbamate
SMILESCC(C)N(C)c1ccccc1CN1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C21H35N3O2/c1-16(2)23(6)19-10-8-7-9-17(19)15-24-13-11-18(12-14-24)22-20(25)26-21(3,4)5/h7-10,16,18H,11-15H2,1-6H3,(H,22,25)
InChIKeyFPKDOCWIIKMKBH-UHFFFAOYSA-N
MW361.53 g/mol
LogP4.02
Rot. Bonds5

About tert-butyl N-[1-[[2-[methyl(propan-2-yl)amino]phenyl]methyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[[2-[methyl(propan-2-yl)amino]phenyl]methyl]piperidin-4-yl]carbamate (PubChem CID 58006279) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is tert-butyl N-[1-[[2-[methyl(propan-2-yl)amino]phenyl]methyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[2-[methyl(propan-2-yl)amino]phenyl]methyl]piperidin-4-yl]carbamate
PubChem CID58006279
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC Nametert-butyl N-[1-[[2-[methyl(propan-2-yl)amino]phenyl]methyl]piperidin-4-yl]carbamate
SMILESCC(C)N(C)c1ccccc1CN1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C21H35N3O2/c1-16(2)23(6)19-10-8-7-9-17(19)15-24-13-11-18(12-14-24)22-20(25)26-21(3,4)5/h7-10,16,18H,11-15H2,1-6H3,(H,22,25)
InChIKeyFPKDOCWIIKMKBH-UHFFFAOYSA-N
XLogP4.02
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 75994004
tert-butyl N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]carbamate
CID 58006150
tert-butyl N-[1-[(2-bromophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 75994003
tert-butyl N-[1-[[2-[2-(dimethylamino)ethyl-methylamino]-6-methoxyphenyl]methyl]piperidin-4-yl]carbamate
CID 68952873
tert-butyl N-[1-[[4-[(E)-2-phenylethenyl]phenyl]methyl]piperidin-4-yl]carbamate
CID 129121860
tert-butyl N-[1-[(4-methylquinazolin-2-yl)methyl]piperidin-4-yl]carbamate
CID 60512788
tert-butyl N-[1-[2-hydroxy-3-(N-methylanilino)propyl]piperidin-4-yl]carbamate
CID 130198895
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
tert-butyl N-[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-yl]carbamate
CID 60512993
tert-butyl N-[1-[2-(aminomethyl)phenyl]piperidin-4-yl]carbamate
CID 67417632
tert-butyl N-[1-[[4-amino-2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]carbamate
CID 134576469
tert-butyl N-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]carbamate
CID 86330277

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[2-[methyl(propan-2-yl)amino]phenyl]methyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[[2-[methyl(propan-2-yl)amino]phenyl]methyl]piperidin-4-yl]carbamate (CID 58006279) is tert-butyl N-[1-[[2-[methyl(propan-2-yl)amino]phenyl]methyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[2-[methyl(propan-2-yl)amino]phenyl]methyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[2-[methyl(propan-2-yl)amino]phenyl]methyl]piperidin-4-yl]carbamate is CC(C)N(C)c1ccccc1CN1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-[[2-[methyl(propan-2-yl)amino]phenyl]methyl]piperidin-4-yl]carbamate?
The InChIKey is FPKDOCWIIKMKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O2/c1-16(2)23(6)19-10-8-7-9-17(19)15-24-13-11-18(12-14-24)22-20(25)26-21(3,4)5/h7-10,16,18H,11-15H2,1-6H3,(H,22,25).
What are the key properties of tert-butyl N-[1-[[2-[methyl(propan-2-yl)amino]phenyl]methyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[[2-[methyl(propan-2-yl)amino]phenyl]methyl]piperidin-4-yl]carbamate has a molecular weight of 361.53 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[2-[methyl(propan-2-yl)amino]phenyl]methyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 58006279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).