1-ethyl-4-(piperidin-4-ylmethyl)piperidine;hydrochloride

C13H27ClN2 — CID 86262794

IUPAC1-ethyl-4-(piperidin-4-ylmethyl)piperidine;hydrochloride
SMILESCCN1CCC(CC2CCNCC2)CC1.Cl
InChIInChI=1S/C13H26N2.ClH/c1-2-15-9-5-13(6-10-15)11-12-3-7-14-8-4-12;/h12-14H,2-11H2,1H3;1H
InChIKeyVMCVAXNTNCTAFT-UHFFFAOYSA-N
MW246.83 g/mol
LogP2.53
Rot. Bonds3

About 1-ethyl-4-(piperidin-4-ylmethyl)piperidine;hydrochloride

1-ethyl-4-(piperidin-4-ylmethyl)piperidine;hydrochloride (PubChem CID 86262794) has the molecular formula C13H27ClN2 and a molecular weight of 246.83 g/mol. Its IUPAC name is 1-ethyl-4-(piperidin-4-ylmethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name1-ethyl-4-(piperidin-4-ylmethyl)piperidine;hydrochloride
PubChem CID86262794
Molecular FormulaC13H27ClN2
Molecular Weight246.83 g/mol
Exact Mass246.19
IUPAC Name1-ethyl-4-(piperidin-4-ylmethyl)piperidine;hydrochloride
SMILESCCN1CCC(CC2CCNCC2)CC1.Cl
InChIInChI=1S/C13H26N2.ClH/c1-2-15-9-5-13(6-10-15)11-12-3-7-14-8-4-12;/h12-14H,2-11H2,1H3;1H
InChIKeyVMCVAXNTNCTAFT-UHFFFAOYSA-N
XLogP2.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.83
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine
CID 167091278
4-(piperidin-4-ylmethyl)piperidine
CID 14123199
1-[4-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 172604358
N-[(1-ethylpiperidin-4-yl)methyl]azepan-4-amine
CID 103981902
1,4-diethylpiperidine;ethane
CID 143709904
2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine;hydrochloride
CID 117227797
1-ethyl-4-(piperidin-4-ylmethylsulfonyl)piperazine
CID 54973856
1-ethyl-N-methyl-N-(pyrrolidin-3-ylmethyl)piperidin-4-amine
CID 62370363
1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
CID 171094387
1-propyl-4-[(1-propylpiperidin-4-yl)methyl]piperidine
CID 172611487
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
4-(3,3-dimethylbutyl)-1-ethylpiperidine
CID 58286807

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(piperidin-4-ylmethyl)piperidine;hydrochloride?
The IUPAC name of 1-ethyl-4-(piperidin-4-ylmethyl)piperidine;hydrochloride (CID 86262794) is 1-ethyl-4-(piperidin-4-ylmethyl)piperidine;hydrochloride.
What is the SMILES notation for 1-ethyl-4-(piperidin-4-ylmethyl)piperidine;hydrochloride?
The canonical SMILES for 1-ethyl-4-(piperidin-4-ylmethyl)piperidine;hydrochloride is CCN1CCC(CC2CCNCC2)CC1.Cl.
What is the InChIKey of 1-ethyl-4-(piperidin-4-ylmethyl)piperidine;hydrochloride?
The InChIKey is VMCVAXNTNCTAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.ClH/c1-2-15-9-5-13(6-10-15)11-12-3-7-14-8-4-12;/h12-14H,2-11H2,1H3;1H.
What are the key properties of 1-ethyl-4-(piperidin-4-ylmethyl)piperidine;hydrochloride?
1-ethyl-4-(piperidin-4-ylmethyl)piperidine;hydrochloride has a molecular weight of 246.83 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(piperidin-4-ylmethyl)piperidine;hydrochloride is sourced from PubChem (CID 86262794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).