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

C18H35ClN2O2 — CID 155822293

IUPACtert-butyl 3-(3-piperidin-4-ylpropyl)piperidine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCCC(CCCC2CCNCC2)C1.Cl
InChIInChI=1S/C18H34N2O2.ClH/c1-18(2,3)22-17(21)20-13-5-8-16(14-20)7-4-6-15-9-11-19-12-10-15;/h15-16,19H,4-14H2,1-3H3;1H
InChIKeyRMFRDKZPWNWBFD-UHFFFAOYSA-N
MW346.94 g/mol
LogP4.23
Rot. Bonds4

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

tert-butyl 3-(3-piperidin-4-ylpropyl)piperidine-1-carboxylate;hydrochloride (PubChem CID 155822293) has the molecular formula C18H35ClN2O2 and a molecular weight of 346.94 g/mol. Its IUPAC name is tert-butyl 3-(3-piperidin-4-ylpropyl)piperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 3-(3-piperidin-4-ylpropyl)piperidine-1-carboxylate;hydrochloride
PubChem CID155822293
Molecular FormulaC18H35ClN2O2
Molecular Weight346.94 g/mol
Exact Mass346.24
IUPAC Nametert-butyl 3-(3-piperidin-4-ylpropyl)piperidine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCCC(CCCC2CCNCC2)C1.Cl
InChIInChI=1S/C18H34N2O2.ClH/c1-18(2,3)22-17(21)20-13-5-8-16(14-20)7-4-6-15-9-11-19-12-10-15;/h15-16,19H,4-14H2,1-3H3;1H
InChIKeyRMFRDKZPWNWBFD-UHFFFAOYSA-N
XLogP4.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.94
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3-piperidin-4-ylpropyl)piperidine-1-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 3-(3-piperidin-4-ylpropyl)piperidine-1-carboxylate;hydrochloride (CID 155822293) is tert-butyl 3-(3-piperidin-4-ylpropyl)piperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 3-(3-piperidin-4-ylpropyl)piperidine-1-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 3-(3-piperidin-4-ylpropyl)piperidine-1-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CCCC(CCCC2CCNCC2)C1.Cl.
What is the InChIKey of tert-butyl 3-(3-piperidin-4-ylpropyl)piperidine-1-carboxylate;hydrochloride?
The InChIKey is RMFRDKZPWNWBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2.ClH/c1-18(2,3)22-17(21)20-13-5-8-16(14-20)7-4-6-15-9-11-19-12-10-15;/h15-16,19H,4-14H2,1-3H3;1H.
What are the key properties of tert-butyl 3-(3-piperidin-4-ylpropyl)piperidine-1-carboxylate;hydrochloride?
tert-butyl 3-(3-piperidin-4-ylpropyl)piperidine-1-carboxylate;hydrochloride has a molecular weight of 346.94 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3-piperidin-4-ylpropyl)piperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 155822293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).