tert-butyl 4-(3-piperidin-4-ylpropyl)piperidine-1-carboxylate

C18H34N2O2 — CID 57421831

IUPACtert-butyl 4-(3-piperidin-4-ylpropyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCCC2CCNCC2)CC1
InChIInChI=1S/C18H34N2O2/c1-18(2,3)22-17(21)20-13-9-16(10-14-20)6-4-5-15-7-11-19-12-8-15/h15-16,19H,4-14H2,1-3H3
InChIKeyKZCAOIVQSZNKIK-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.80
Rot. Bonds4

About tert-butyl 4-(3-piperidin-4-ylpropyl)piperidine-1-carboxylate

tert-butyl 4-(3-piperidin-4-ylpropyl)piperidine-1-carboxylate (PubChem CID 57421831) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl 4-(3-piperidin-4-ylpropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-piperidin-4-ylpropyl)piperidine-1-carboxylate
PubChem CID57421831
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl 4-(3-piperidin-4-ylpropyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCCC2CCNCC2)CC1
InChIInChI=1S/C18H34N2O2/c1-18(2,3)22-17(21)20-13-9-16(10-14-20)6-4-5-15-7-11-19-12-8-15/h15-16,19H,4-14H2,1-3H3
InChIKeyKZCAOIVQSZNKIK-UHFFFAOYSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-(3-piperidin-4-ylpropyl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-piperidin-4-ylpropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-piperidin-4-ylpropyl)piperidine-1-carboxylate (CID 57421831) is tert-butyl 4-(3-piperidin-4-ylpropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-piperidin-4-ylpropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-piperidin-4-ylpropyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCCC2CCNCC2)CC1.
What is the InChIKey of tert-butyl 4-(3-piperidin-4-ylpropyl)piperidine-1-carboxylate?
The InChIKey is KZCAOIVQSZNKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-18(2,3)22-17(21)20-13-9-16(10-14-20)6-4-5-15-7-11-19-12-8-15/h15-16,19H,4-14H2,1-3H3.
What are the key properties of tert-butyl 4-(3-piperidin-4-ylpropyl)piperidine-1-carboxylate?
tert-butyl 4-(3-piperidin-4-ylpropyl)piperidine-1-carboxylate has a molecular weight of 310.48 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-piperidin-4-ylpropyl)piperidine-1-carboxylate is sourced from PubChem (CID 57421831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).