tert-butyl N-[1-[3-(diethylamino)propyl]piperidin-4-yl]carbamate

C17H35N3O2 — CID 51108773

IUPACtert-butyl N-[1-[3-(diethylamino)propyl]piperidin-4-yl]carbamate
SMILESCCN(CC)CCCN1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H35N3O2/c1-6-19(7-2)11-8-12-20-13-9-15(10-14-20)18-16(21)22-17(3,4)5/h15H,6-14H2,1-5H3,(H,18,21)
InChIKeySAENTPUFXGAGPJ-UHFFFAOYSA-N
MW313.49 g/mol
LogP2.71
Rot. Bonds7

About tert-butyl N-[1-[3-(diethylamino)propyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[3-(diethylamino)propyl]piperidin-4-yl]carbamate (PubChem CID 51108773) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is tert-butyl N-[1-[3-(diethylamino)propyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[3-(diethylamino)propyl]piperidin-4-yl]carbamate
PubChem CID51108773
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC Nametert-butyl N-[1-[3-(diethylamino)propyl]piperidin-4-yl]carbamate
SMILESCCN(CC)CCCN1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H35N3O2/c1-6-19(7-2)11-8-12-20-13-9-15(10-14-20)18-16(21)22-17(3,4)5/h15H,6-14H2,1-5H3,(H,18,21)
InChIKeySAENTPUFXGAGPJ-UHFFFAOYSA-N
XLogP2.71
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-(diethylamino)propyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[3-(diethylamino)propyl]piperidin-4-yl]carbamate (CID 51108773) is tert-butyl N-[1-[3-(diethylamino)propyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[3-(diethylamino)propyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[3-(diethylamino)propyl]piperidin-4-yl]carbamate is CCN(CC)CCCN1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-[3-(diethylamino)propyl]piperidin-4-yl]carbamate?
The InChIKey is SAENTPUFXGAGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-6-19(7-2)11-8-12-20-13-9-15(10-14-20)18-16(21)22-17(3,4)5/h15H,6-14H2,1-5H3,(H,18,21).
What are the key properties of tert-butyl N-[1-[3-(diethylamino)propyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[3-(diethylamino)propyl]piperidin-4-yl]carbamate has a molecular weight of 313.49 g/mol, XLogP of 2.71, 7 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-(diethylamino)propyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 51108773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).