3-(2,5-dimethylpyrrolidin-1-yl)piperidine;hydrochloride

C11H23ClN2 — CID 131067525

IUPAC3-(2,5-dimethylpyrrolidin-1-yl)piperidine;hydrochloride
SMILESCC1CCC(C)N1C1CCCNC1.Cl
InChIInChI=1S/C11H22N2.ClH/c1-9-5-6-10(2)13(9)11-4-3-7-12-8-11;/h9-12H,3-8H2,1-2H3;1H
InChIKeyPHIARRCENDQKKP-UHFFFAOYSA-N
MW218.77 g/mol
LogP2.03
Rot. Bonds1

About 3-(2,5-dimethylpyrrolidin-1-yl)piperidine;hydrochloride

3-(2,5-dimethylpyrrolidin-1-yl)piperidine;hydrochloride (PubChem CID 131067525) has the molecular formula C11H23ClN2 and a molecular weight of 218.77 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrrolidin-1-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name3-(2,5-dimethylpyrrolidin-1-yl)piperidine;hydrochloride
PubChem CID131067525
Molecular FormulaC11H23ClN2
Molecular Weight218.77 g/mol
Exact Mass218.15
IUPAC Name3-(2,5-dimethylpyrrolidin-1-yl)piperidine;hydrochloride
SMILESCC1CCC(C)N1C1CCCNC1.Cl
InChIInChI=1S/C11H22N2.ClH/c1-9-5-6-10(2)13(9)11-4-3-7-12-8-11;/h9-12H,3-8H2,1-2H3;1H
InChIKeyPHIARRCENDQKKP-UHFFFAOYSA-N
XLogP2.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.77
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrrolidin-1-yl)piperidine;hydrochloride?
The IUPAC name of 3-(2,5-dimethylpyrrolidin-1-yl)piperidine;hydrochloride (CID 131067525) is 3-(2,5-dimethylpyrrolidin-1-yl)piperidine;hydrochloride.
What is the SMILES notation for 3-(2,5-dimethylpyrrolidin-1-yl)piperidine;hydrochloride?
The canonical SMILES for 3-(2,5-dimethylpyrrolidin-1-yl)piperidine;hydrochloride is CC1CCC(C)N1C1CCCNC1.Cl.
What is the InChIKey of 3-(2,5-dimethylpyrrolidin-1-yl)piperidine;hydrochloride?
The InChIKey is PHIARRCENDQKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.ClH/c1-9-5-6-10(2)13(9)11-4-3-7-12-8-11;/h9-12H,3-8H2,1-2H3;1H.
What are the key properties of 3-(2,5-dimethylpyrrolidin-1-yl)piperidine;hydrochloride?
3-(2,5-dimethylpyrrolidin-1-yl)piperidine;hydrochloride has a molecular weight of 218.77 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrrolidin-1-yl)piperidine;hydrochloride is sourced from PubChem (CID 131067525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).