tert-butyl N-(4-amino-3-piperidin-1-ylbutyl)carbamate

C14H29N3O2 — CID 102729464

IUPACtert-butyl N-(4-amino-3-piperidin-1-ylbutyl)carbamate
SMILESCC(C)(C)OC(=O)NCCC(CN)N1CCCCC1
InChIInChI=1S/C14H29N3O2/c1-14(2,3)19-13(18)16-8-7-12(11-15)17-9-5-4-6-10-17/h12H,4-11,15H2,1-3H3,(H,16,18)
InChIKeySFOPFGYTXLDTGY-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.71
Rot. Bonds5

About tert-butyl N-(4-amino-3-piperidin-1-ylbutyl)carbamate

tert-butyl N-(4-amino-3-piperidin-1-ylbutyl)carbamate (PubChem CID 102729464) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is tert-butyl N-(4-amino-3-piperidin-1-ylbutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-amino-3-piperidin-1-ylbutyl)carbamate
PubChem CID102729464
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Nametert-butyl N-(4-amino-3-piperidin-1-ylbutyl)carbamate
SMILESCC(C)(C)OC(=O)NCCC(CN)N1CCCCC1
InChIInChI=1S/C14H29N3O2/c1-14(2,3)19-13(18)16-8-7-12(11-15)17-9-5-4-6-10-17/h12H,4-11,15H2,1-3H3,(H,16,18)
InChIKeySFOPFGYTXLDTGY-UHFFFAOYSA-N
XLogP1.71
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-amino-2-(azocan-1-yl)propyl]carbamate
CID 102729511
tert-butyl N-[4-amino-3-(4-cyclopropylpiperazin-1-yl)butyl]carbamate
CID 102729770
tert-butyl N-[4-amino-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butyl]carbamate
CID 102730293
tert-butyl N-[4-amino-3-(2,2-dimethylmorpholin-4-yl)butyl]carbamate
CID 102729629
tert-butyl N-[4-amino-3-[3-(diethylamino)pyrrolidin-1-yl]butyl]carbamate
CID 102730052
tert-butyl N-(3-cyano-3-piperidin-1-ylpropyl)carbamate
CID 102730820
tert-butyl N-[4-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butyl]carbamate
CID 102730006
tert-butyl N-[4-amino-3-(2,3,5-trimethylpiperidin-1-yl)butyl]carbamate
CID 102730533
tert-butyl N-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-aminobutyl]carbamate
CID 102730168
tert-butyl N-(3-cyano-3-pyrrolidin-1-ylpropyl)carbamate
CID 102730817
tert-butyl N-(3-amino-2-morpholin-4-ylpropyl)carbamate
CID 102729414
tert-butyl N-(3-amino-2-thiomorpholin-4-ylpropyl)carbamate
CID 102729505

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-amino-3-piperidin-1-ylbutyl)carbamate?
The IUPAC name of tert-butyl N-(4-amino-3-piperidin-1-ylbutyl)carbamate (CID 102729464) is tert-butyl N-(4-amino-3-piperidin-1-ylbutyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-amino-3-piperidin-1-ylbutyl)carbamate?
The canonical SMILES for tert-butyl N-(4-amino-3-piperidin-1-ylbutyl)carbamate is CC(C)(C)OC(=O)NCCC(CN)N1CCCCC1.
What is the InChIKey of tert-butyl N-(4-amino-3-piperidin-1-ylbutyl)carbamate?
The InChIKey is SFOPFGYTXLDTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-14(2,3)19-13(18)16-8-7-12(11-15)17-9-5-4-6-10-17/h12H,4-11,15H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-(4-amino-3-piperidin-1-ylbutyl)carbamate?
tert-butyl N-(4-amino-3-piperidin-1-ylbutyl)carbamate has a molecular weight of 271.40 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-amino-3-piperidin-1-ylbutyl)carbamate is sourced from PubChem (CID 102729464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).