tert-butyl N-[[3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]phenyl]methyl]carbamate

C26H37N3O2 — CID 53324839

IUPACtert-butyl N-[[3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(CNC2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C26H37N3O2/c1-26(2,3)31-25(30)28-20-23-11-7-10-22(18-23)19-27-24-13-16-29(17-14-24)15-12-21-8-5-4-6-9-21/h4-11,18,24,27H,12-17,19-20H2,1-3H3,(H,28,30)
InChIKeyQPGCADBRIYHYPP-UHFFFAOYSA-N
MW423.60 g/mol
LogP4.51
Rot. Bonds8

About tert-butyl N-[[3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]phenyl]methyl]carbamate

tert-butyl N-[[3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]phenyl]methyl]carbamate (PubChem CID 53324839) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is tert-butyl N-[[3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]phenyl]methyl]carbamate
PubChem CID53324839
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC Nametert-butyl N-[[3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(CNC2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C26H37N3O2/c1-26(2,3)31-25(30)28-20-23-11-7-10-22(18-23)19-27-24-13-16-29(17-14-24)15-12-21-8-5-4-6-9-21/h4-11,18,24,27H,12-17,19-20H2,1-3H3,(H,28,30)
InChIKeyQPGCADBRIYHYPP-UHFFFAOYSA-N
XLogP4.51
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]phenyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]carbamate
CID 107237024
N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 5112934
tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate
CID 66616766
2-methyl-1-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-2-ol
CID 63239768
tert-butyl N-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]carbamate
CID 53328337
benzyl 4-[[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyl]piperazine-1-carboxylate
CID 22229204
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]-N-propylacetamide
CID 119164761
tert-butyl N-[[3-[(piperazine-1-carbonylamino)methyl]phenyl]methyl]carbamate
CID 56611439
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
tert-butyl N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]carbamate
CID 107248664
tert-butyl N-[[3-[(1-methylpiperidin-3-yl)amino]phenyl]methyl]carbamate
CID 107244695
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]phenyl]methyl]carbamate (CID 53324839) is tert-butyl N-[[3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cccc(CNC2CCN(CCc3ccccc3)CC2)c1.
What is the InChIKey of tert-butyl N-[[3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]phenyl]methyl]carbamate?
The InChIKey is QPGCADBRIYHYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2/c1-26(2,3)31-25(30)28-20-23-11-7-10-22(18-23)19-27-24-13-16-29(17-14-24)15-12-21-8-5-4-6-9-21/h4-11,18,24,27H,12-17,19-20H2,1-3H3,(H,28,30).
What are the key properties of tert-butyl N-[[3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]phenyl]methyl]carbamate?
tert-butyl N-[[3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]phenyl]methyl]carbamate has a molecular weight of 423.60 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]phenyl]methyl]carbamate is sourced from PubChem (CID 53324839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).