tert-butyl N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]carbamate

C19H30N2O3 — CID 155730830

IUPACtert-butyl N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]carbamate
SMILESCOc1cccc(CN2CCC(CNC(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C19H30N2O3/c1-19(2,3)24-18(22)20-13-15-8-10-21(11-9-15)14-16-6-5-7-17(12-16)23-4/h5-7,12,15H,8-11,13-14H2,1-4H3,(H,20,22)
InChIKeyZCORSEKEFBZEFS-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.43
Rot. Bonds5

About tert-butyl N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]carbamate

tert-butyl N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]carbamate (PubChem CID 155730830) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is tert-butyl N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]carbamate
PubChem CID155730830
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Nametert-butyl N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]carbamate
SMILESCOc1cccc(CN2CCC(CNC(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C19H30N2O3/c1-19(2,3)24-18(22)20-13-15-8-10-21(11-9-15)14-16-6-5-7-17(12-16)23-4/h5-7,12,15H,8-11,13-14H2,1-4H3,(H,20,22)
InChIKeyZCORSEKEFBZEFS-UHFFFAOYSA-N
XLogP3.43
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]carbamate
CID 83980997
tert-butyl N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]carbamate
CID 129055302
tert-butyl N-[[1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperidin-4-yl]methyl]carbamate
CID 56571118
tert-butyl N-[3-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 55945960
2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propan-2-ol
CID 172900058
tert-butyl N-[2-[4-[[3-(3-methoxyphenyl)propanoylamino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916612
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
tert-butyl N-[1-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 55982499
tert-butyl N-[[(3S)-1-[(2S)-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]piperidin-3-yl]methyl]carbamate
CID 90675587
tert-butyl N-[[1-[(3-fluoro-5-hydroxyphenyl)methyl]piperidin-4-yl]methyl]carbamate
CID 167718431
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 1343442

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]carbamate (CID 155730830) is tert-butyl N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]carbamate is COc1cccc(CN2CCC(CNC(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]carbamate?
The InChIKey is ZCORSEKEFBZEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-19(2,3)24-18(22)20-13-15-8-10-21(11-9-15)14-16-6-5-7-17(12-16)23-4/h5-7,12,15H,8-11,13-14H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]carbamate?
tert-butyl N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]carbamate has a molecular weight of 334.46 g/mol, XLogP of 3.43, 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-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 155730830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).