tert-butyl N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]carbamate

C24H32N2O2 — CID 59332945

IUPACtert-butyl N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(c2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H32N2O2/c1-23(2,3)28-22(27)25-19-24(21-12-8-5-9-13-21)14-16-26(17-15-24)18-20-10-6-4-7-11-20/h4-13H,14-19H2,1-3H3,(H,25,27)
InChIKeyUDECTRFJWIROPD-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.75
Rot. Bonds5

About tert-butyl N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]carbamate

tert-butyl N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]carbamate (PubChem CID 59332945) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is tert-butyl N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]carbamate
PubChem CID59332945
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Nametert-butyl N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(c2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H32N2O2/c1-23(2,3)28-22(27)25-19-24(21-12-8-5-9-13-21)14-16-26(17-15-24)18-20-10-6-4-7-11-20/h4-13H,14-19H2,1-3H3,(H,25,27)
InChIKeyUDECTRFJWIROPD-UHFFFAOYSA-N
XLogP4.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1-benzyl-4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate
CID 127264024
tert-butyl N-[[1-[(4-benzylpiperazin-1-yl)methyl]cyclohexyl]methyl]carbamate
CID 18430867
N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]benzamide
CID 20694800
tert-butyl N-[[(3R,4S)-1-benzyl-3,4-dihydroxypiperidin-4-yl]methyl]carbamate
CID 125130365
tert-butyl N-[[(3aR,6aS)-2-benzyl-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]methyl]carbamate
CID 138455618
tert-butyl N-[[(1S,5S)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methyl]carbamate
CID 129391344
N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]formamide
CID 23538
tert-butyl N-(1-benzyl-4-methylpiperidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
CID 139535988
tert-butyl N-[2-(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]carbamate
CID 130269222
tert-butyl 2-amino-2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate
CID 69414976
tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate
CID 97170435
(3R,4R)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide
CID 157015996

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]carbamate (CID 59332945) is tert-butyl N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1(c2ccccc2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of tert-butyl N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]carbamate?
The InChIKey is UDECTRFJWIROPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-23(2,3)28-22(27)25-19-24(21-12-8-5-9-13-21)14-16-26(17-15-24)18-20-10-6-4-7-11-20/h4-13H,14-19H2,1-3H3,(H,25,27).
What are the key properties of tert-butyl N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]carbamate?
tert-butyl N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]carbamate has a molecular weight of 380.53 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]carbamate is sourced from PubChem (CID 59332945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).