tert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate

C14H28N2O2 — CID 63714385

IUPACtert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate
SMILESCCCN1CCC(N(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O2/c1-6-9-16-10-7-12(8-11-16)15(5)13(17)18-14(2,3)4/h12H,6-11H2,1-5H3
InChIKeyVFKLYMFRFVGDNY-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.73
Rot. Bonds3

About tert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate

tert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate (PubChem CID 63714385) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate
PubChem CID63714385
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate
SMILESCCCN1CCC(N(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O2/c1-6-9-16-10-7-12(8-11-16)15(5)13(17)18-14(2,3)4/h12H,6-11H2,1-5H3
InChIKeyVFKLYMFRFVGDNY-UHFFFAOYSA-N
XLogP2.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(5-aminopentyl)piperidin-4-yl]-N-methylcarbamate
CID 165368889
tert-butyl N-[1-(5,5-dimethoxypentyl)piperidin-4-yl]-N-methylcarbamate
CID 131721052
N,2,2-trimethyl-N-(1-propylpiperidin-4-yl)propanamide
CID 64590731
tert-butyl N-methyl-N-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-4-yl]carbamate
CID 86898816
tert-butyl N-methyl-N-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]carbamate
CID 71861813
2-amino-N,2-dimethyl-N-(1-propylpiperidin-4-yl)butanamide
CID 79805082
2-[(3R)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]acetic acid
CID 66566410
tert-butyl N-[1-[(6-bromo-3-pyridinyl)methyl]piperidin-4-yl]-N-methylcarbamate
CID 71647287
tert-butyl N-[(3R)-1-(2-chloroacetyl)pyrrolidin-3-yl]-N-methylcarbamate
CID 66566130
3-[methyl-(1-propylpiperidin-4-yl)amino]-3-oxopropanoic acid
CID 62230268
tert-butyl N-[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate
CID 95337387
tert-butyl N-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate
CID 95337386

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate (CID 63714385) is tert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate is CCCN1CCC(N(C)C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate?
The InChIKey is VFKLYMFRFVGDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-6-9-16-10-7-12(8-11-16)15(5)13(17)18-14(2,3)4/h12H,6-11H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate?
tert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate has a molecular weight of 256.39 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate is sourced from PubChem (CID 63714385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).