tert-butyl N-(1-pyrrolidin-3-ylpiperidin-4-yl)carbamate

C14H27N3O2 — CID 42614604

IUPACtert-butyl N-(1-pyrrolidin-3-ylpiperidin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C2CCNC2)CC1
InChIInChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)16-11-5-8-17(9-6-11)12-4-7-15-10-12/h11-12,15H,4-10H2,1-3H3,(H,16,18)
InChIKeyRYEDWVUQVIEGNA-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.34
Rot. Bonds2

About tert-butyl N-(1-pyrrolidin-3-ylpiperidin-4-yl)carbamate

tert-butyl N-(1-pyrrolidin-3-ylpiperidin-4-yl)carbamate (PubChem CID 42614604) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is tert-butyl N-(1-pyrrolidin-3-ylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-pyrrolidin-3-ylpiperidin-4-yl)carbamate
PubChem CID42614604
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Nametert-butyl N-(1-pyrrolidin-3-ylpiperidin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C2CCNC2)CC1
InChIInChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)16-11-5-8-17(9-6-11)12-4-7-15-10-12/h11-12,15H,4-10H2,1-3H3,(H,16,18)
InChIKeyRYEDWVUQVIEGNA-UHFFFAOYSA-N
XLogP1.34
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-pyrrolidin-3-ylpiperidin-4-yl)carbamate?
The IUPAC name of tert-butyl N-(1-pyrrolidin-3-ylpiperidin-4-yl)carbamate (CID 42614604) is tert-butyl N-(1-pyrrolidin-3-ylpiperidin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-pyrrolidin-3-ylpiperidin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-pyrrolidin-3-ylpiperidin-4-yl)carbamate is CC(C)(C)OC(=O)NC1CCN(C2CCNC2)CC1.
What is the InChIKey of tert-butyl N-(1-pyrrolidin-3-ylpiperidin-4-yl)carbamate?
The InChIKey is RYEDWVUQVIEGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)16-11-5-8-17(9-6-11)12-4-7-15-10-12/h11-12,15H,4-10H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-(1-pyrrolidin-3-ylpiperidin-4-yl)carbamate?
tert-butyl N-(1-pyrrolidin-3-ylpiperidin-4-yl)carbamate has a molecular weight of 269.39 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-pyrrolidin-3-ylpiperidin-4-yl)carbamate is sourced from PubChem (CID 42614604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).