tert-butyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate;hydrochloride

C17H33ClN2O2 — CID 57421848

IUPACtert-butyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(CCC2CCNCC2)CC1.Cl
InChIInChI=1S/C17H32N2O2.ClH/c1-17(2,3)21-16(20)19-12-8-15(9-13-19)5-4-14-6-10-18-11-7-14;/h14-15,18H,4-13H2,1-3H3;1H
InChIKeyPOLJONOBIITCLQ-UHFFFAOYSA-N
MW332.92 g/mol
LogP3.84
Rot. Bonds3

About tert-butyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate;hydrochloride

tert-butyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate;hydrochloride (PubChem CID 57421848) has the molecular formula C17H33ClN2O2 and a molecular weight of 332.92 g/mol. Its IUPAC name is tert-butyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate;hydrochloride
PubChem CID57421848
Molecular FormulaC17H33ClN2O2
Molecular Weight332.92 g/mol
Exact Mass332.22
IUPAC Nametert-butyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(CCC2CCNCC2)CC1.Cl
InChIInChI=1S/C17H32N2O2.ClH/c1-17(2,3)21-16(20)19-12-8-15(9-13-19)5-4-14-6-10-18-11-7-14;/h14-15,18H,4-13H2,1-3H3;1H
InChIKeyPOLJONOBIITCLQ-UHFFFAOYSA-N
XLogP3.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.92
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate;hydrochloride (CID 57421848) is tert-butyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CCC(CCC2CCNCC2)CC1.Cl.
What is the InChIKey of tert-butyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate;hydrochloride?
The InChIKey is POLJONOBIITCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2.ClH/c1-17(2,3)21-16(20)19-12-8-15(9-13-19)5-4-14-6-10-18-11-7-14;/h14-15,18H,4-13H2,1-3H3;1H.
What are the key properties of tert-butyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate;hydrochloride?
tert-butyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate;hydrochloride has a molecular weight of 332.92 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 57421848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).