3-ethyl-1-piperidin-4-ylpiperidine;hydrochloride

C12H25ClN2 — CID 176957509

IUPAC3-ethyl-1-piperidin-4-ylpiperidine;hydrochloride
SMILESCCC1CCCN(C2CCNCC2)C1.Cl
InChIInChI=1S/C12H24N2.ClH/c1-2-11-4-3-9-14(10-11)12-5-7-13-8-6-12;/h11-13H,2-10H2,1H3;1H
InChIKeyJVERIQQIXQIGMG-UHFFFAOYSA-N
MW232.80 g/mol
LogP2.28
Rot. Bonds2

About 3-ethyl-1-piperidin-4-ylpiperidine;hydrochloride

3-ethyl-1-piperidin-4-ylpiperidine;hydrochloride (PubChem CID 176957509) has the molecular formula C12H25ClN2 and a molecular weight of 232.80 g/mol. Its IUPAC name is 3-ethyl-1-piperidin-4-ylpiperidine;hydrochloride.

Molecular Properties

Compound Name3-ethyl-1-piperidin-4-ylpiperidine;hydrochloride
PubChem CID176957509
Molecular FormulaC12H25ClN2
Molecular Weight232.80 g/mol
Exact Mass232.17
IUPAC Name3-ethyl-1-piperidin-4-ylpiperidine;hydrochloride
SMILESCCC1CCCN(C2CCNCC2)C1.Cl
InChIInChI=1S/C12H24N2.ClH/c1-2-11-4-3-9-14(10-11)12-5-7-13-8-6-12;/h11-13H,2-10H2,1H3;1H
InChIKeyJVERIQQIXQIGMG-UHFFFAOYSA-N
XLogP2.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.80
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-ethylpiperidine
CID 76560892
3-(cyclopropylmethyl)-1-piperidin-4-ylpiperidine
CID 156735020
3-(cyclopropylmethoxymethyl)-1-piperidin-4-ylpiperidine;dihydrochloride
CID 156735211
[(3S)-1-(4-ethylcyclohexyl)piperidin-3-yl]methanol
CID 40506920
3-ethyl-1-azabicyclo[5.2.0]nonane
CID 89423692
3-methyl-1-piperidin-4-ylpiperidine
CID 2760044
4-pyrrolidin-1-ylpiperidine;hydrochloride
CID 45075209
3-tert-butyl-1-piperidin-4-ylpiperidine;hydrochloride
CID 176957482
3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine;dihydrochloride
CID 156735218
2-ethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 89311495
N,N-dimethyl-1-(1-pyrrolidin-3-ylpiperidin-3-yl)methanamine
CID 83835122
3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine
CID 156735219

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-piperidin-4-ylpiperidine;hydrochloride?
The IUPAC name of 3-ethyl-1-piperidin-4-ylpiperidine;hydrochloride (CID 176957509) is 3-ethyl-1-piperidin-4-ylpiperidine;hydrochloride.
What is the SMILES notation for 3-ethyl-1-piperidin-4-ylpiperidine;hydrochloride?
The canonical SMILES for 3-ethyl-1-piperidin-4-ylpiperidine;hydrochloride is CCC1CCCN(C2CCNCC2)C1.Cl.
What is the InChIKey of 3-ethyl-1-piperidin-4-ylpiperidine;hydrochloride?
The InChIKey is JVERIQQIXQIGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.ClH/c1-2-11-4-3-9-14(10-11)12-5-7-13-8-6-12;/h11-13H,2-10H2,1H3;1H.
What are the key properties of 3-ethyl-1-piperidin-4-ylpiperidine;hydrochloride?
3-ethyl-1-piperidin-4-ylpiperidine;hydrochloride has a molecular weight of 232.80 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-piperidin-4-ylpiperidine;hydrochloride is sourced from PubChem (CID 176957509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).