tert-butyl N-[3-(1-piperidin-4-ylethoxy)phenyl]carbamate

C18H28N2O3 — CID 68568376

IUPACtert-butyl N-[3-(1-piperidin-4-ylethoxy)phenyl]carbamate
SMILESCC(Oc1cccc(NC(=O)OC(C)(C)C)c1)C1CCNCC1
InChIInChI=1S/C18H28N2O3/c1-13(14-8-10-19-11-9-14)22-16-7-5-6-15(12-16)20-17(21)23-18(2,3)4/h5-7,12-14,19H,8-11H2,1-4H3,(H,20,21)
InChIKeyTWUPODSJKCWGKS-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.80
Rot. Bonds4

About tert-butyl N-[3-(1-piperidin-4-ylethoxy)phenyl]carbamate

tert-butyl N-[3-(1-piperidin-4-ylethoxy)phenyl]carbamate (PubChem CID 68568376) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is tert-butyl N-[3-(1-piperidin-4-ylethoxy)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1-piperidin-4-ylethoxy)phenyl]carbamate
PubChem CID68568376
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nametert-butyl N-[3-(1-piperidin-4-ylethoxy)phenyl]carbamate
SMILESCC(Oc1cccc(NC(=O)OC(C)(C)C)c1)C1CCNCC1
InChIInChI=1S/C18H28N2O3/c1-13(14-8-10-19-11-9-14)22-16-7-5-6-15(12-16)20-17(21)23-18(2,3)4/h5-7,12-14,19H,8-11H2,1-4H3,(H,20,21)
InChIKeyTWUPODSJKCWGKS-UHFFFAOYSA-N
XLogP3.80
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(piperidin-4-ylamino)phenyl]carbamate
CID 68961364
tert-butyl N-[3-[[(3R,4S)-3-methylpiperidin-4-yl]amino]phenyl]carbamate
CID 68959408
tert-butyl N-[3-[(2R)-azetidin-2-yl]phenyl]carbamate
CID 130632560
tert-butyl N-(3-ethoxyphenyl)carbamate
CID 17098158
tert-butyl N-[3-[[[(1R)-1-cyclopropylethyl]amino]methyl]phenyl]carbamate
CID 97307154
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]piperidine-3-carboxylic acid
CID 118691421
tert-butyl N-[3-[(1-cyclopropyl-2-methoxyethyl)amino]phenyl]carbamate
CID 107239959
tert-butyl N-(3-sulfanylphenyl)carbamate
CID 11436060
N-(3-cyclopentyloxyphenyl)-3-piperidin-4-ylbutanamide
CID 119714969
tert-butyl N-[3-[(4,4-dimethylcyclohexyl)amino]phenyl]carbamate
CID 107239837
tert-butyl N-[3-[[5-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]thiophene-2-carbonyl]amino]phenyl]carbamate
CID 166780032
tert-butyl N-[2-(piperidin-4-ylamino)phenyl]carbamate
CID 107240213

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1-piperidin-4-ylethoxy)phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-(1-piperidin-4-ylethoxy)phenyl]carbamate (CID 68568376) is tert-butyl N-[3-(1-piperidin-4-ylethoxy)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1-piperidin-4-ylethoxy)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1-piperidin-4-ylethoxy)phenyl]carbamate is CC(Oc1cccc(NC(=O)OC(C)(C)C)c1)C1CCNCC1.
What is the InChIKey of tert-butyl N-[3-(1-piperidin-4-ylethoxy)phenyl]carbamate?
The InChIKey is TWUPODSJKCWGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13(14-8-10-19-11-9-14)22-16-7-5-6-15(12-16)20-17(21)23-18(2,3)4/h5-7,12-14,19H,8-11H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[3-(1-piperidin-4-ylethoxy)phenyl]carbamate?
tert-butyl N-[3-(1-piperidin-4-ylethoxy)phenyl]carbamate has a molecular weight of 320.43 g/mol, XLogP of 3.80, 4 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-piperidin-4-ylethoxy)phenyl]carbamate is sourced from PubChem (CID 68568376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).