tert-butyl N-[1-(1-propylpiperidin-3-yl)propan-2-yl]carbamate

C16H32N2O2 — CID 83982889

IUPACtert-butyl N-[1-(1-propylpiperidin-3-yl)propan-2-yl]carbamate
SMILESCCCN1CCCC(CC(C)NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-6-9-18-10-7-8-14(12-18)11-13(2)17-15(19)20-16(3,4)5/h13-14H,6-12H2,1-5H3,(H,17,19)
InChIKeyONIWLOJDMMJEOG-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.41
Rot. Bonds5

About tert-butyl N-[1-(1-propylpiperidin-3-yl)propan-2-yl]carbamate

tert-butyl N-[1-(1-propylpiperidin-3-yl)propan-2-yl]carbamate (PubChem CID 83982889) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl N-[1-(1-propylpiperidin-3-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1-propylpiperidin-3-yl)propan-2-yl]carbamate
PubChem CID83982889
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl N-[1-(1-propylpiperidin-3-yl)propan-2-yl]carbamate
SMILESCCCN1CCCC(CC(C)NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-6-9-18-10-7-8-14(12-18)11-13(2)17-15(19)20-16(3,4)5/h13-14H,6-12H2,1-5H3,(H,17,19)
InChIKeyONIWLOJDMMJEOG-UHFFFAOYSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(1-methylpiperidin-3-yl)propan-2-yl]carbamate
CID 83983009
tert-butyl N-[1-[1-(1-propylpiperidin-3-yl)ethylamino]propan-2-yl]carbamate
CID 107247379
tert-butyl N-[1-[1-(2-methylpropyl)pyrrolidin-3-yl]propan-2-yl]carbamate
CID 83981096
tert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]carbamate
CID 83981043
tert-butyl N-[1-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]propan-2-yl]carbamate
CID 83980849
tert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate
CID 59535746
tert-butyl N-[(1R,2S)-2-[[3-(2-methylpropyl)piperidin-1-yl]methyl]cyclohexyl]carbamate
CID 59007490
tert-butyl N-[1-[1-(4-chlorophenyl)pyrrolidin-3-yl]propan-2-yl]carbamate
CID 83981438
3-(1-methylpiperidin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;1-(2-piperidin-1-ylethyl)piperidine;3-piperidin-1-ylpropanoic acid
CID 157079875
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methylpyrrolidin-3-yl)propanoic acid
CID 84713340
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-propan-2-ylsulfonylpiperidin-3-yl)propanoic acid
CID 68533815
tert-butyl N-[5-(2-cyclopropyl-2-hydroxyethyl)-1-propylpiperidin-3-yl]carbamate
CID 112544349

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1-propylpiperidin-3-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(1-propylpiperidin-3-yl)propan-2-yl]carbamate (CID 83982889) is tert-butyl N-[1-(1-propylpiperidin-3-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1-propylpiperidin-3-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1-propylpiperidin-3-yl)propan-2-yl]carbamate is CCCN1CCCC(CC(C)NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[1-(1-propylpiperidin-3-yl)propan-2-yl]carbamate?
The InChIKey is ONIWLOJDMMJEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-9-18-10-7-8-14(12-18)11-13(2)17-15(19)20-16(3,4)5/h13-14H,6-12H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-[1-(1-propylpiperidin-3-yl)propan-2-yl]carbamate?
tert-butyl N-[1-(1-propylpiperidin-3-yl)propan-2-yl]carbamate has a molecular weight of 284.44 g/mol, XLogP of 3.41, 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-(1-propylpiperidin-3-yl)propan-2-yl]carbamate is sourced from PubChem (CID 83982889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).