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

C13H27N3O2 — CID 19420460

IUPACtert-butyl N-[1-(3-aminopropyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CCCN)CC1
InChIInChI=1S/C13H27N3O2/c1-13(2,3)18-12(17)15-11-5-9-16(10-6-11)8-4-7-14/h11H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyYFPIXUUBLIJFGG-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.32
Rot. Bonds4

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

tert-butyl N-[1-(3-aminopropyl)piperidin-4-yl]carbamate (PubChem CID 19420460) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is tert-butyl N-[1-(3-aminopropyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-aminopropyl)piperidin-4-yl]carbamate
PubChem CID19420460
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Nametert-butyl N-[1-(3-aminopropyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CCCN)CC1
InChIInChI=1S/C13H27N3O2/c1-13(2,3)18-12(17)15-11-5-9-16(10-6-11)8-4-7-14/h11H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyYFPIXUUBLIJFGG-UHFFFAOYSA-N
XLogP1.32
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-1-Boc-3-methylpiperazine
CID 7023035
tert-Butyl (2S)-2-methylpiperazine-1-carboxylate
CID 10081508
tert-Butyl 4-(methylamino)piperidine-1-carboxylate
CID 15380702
4-Amino-1-Boc-piperidine
CID 1268291
1-Piperidinecarboxylic acid, 4-(methylamino)-, ethyl ester
CID 11063140
(1S,4S)-2-Boc-2,5-diazabicyclo[2.2.1]heptane
CID 11521263
CP-101537
CID 11127248
tert-butyl N-cyclohexylcarbamate
CID 300728
1-BOC-3-Aminopiperidine
CID 545809
4-(N-Boc-amino)piperidine
CID 723833
(3R)-3-Aminopiperidine, 3-BOC protected
CID 1514172
3-(Boc-amino)piperidine
CID 4233041

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-aminopropyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(3-aminopropyl)piperidin-4-yl]carbamate (CID 19420460) is tert-butyl N-[1-(3-aminopropyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3-aminopropyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3-aminopropyl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(CCCN)CC1.
What is the InChIKey of tert-butyl N-[1-(3-aminopropyl)piperidin-4-yl]carbamate?
The InChIKey is YFPIXUUBLIJFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-13(2,3)18-12(17)15-11-5-9-16(10-6-11)8-4-7-14/h11H,4-10,14H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-[1-(3-aminopropyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(3-aminopropyl)piperidin-4-yl]carbamate has a molecular weight of 257.38 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3-aminopropyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 19420460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).