1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride

C11H19Cl2N3 — CID 171274136

IUPAC1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride
SMILESC[C@@H](c1ccncc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C11H17N3.2ClH/c1-10(11-2-4-12-5-3-11)14-8-6-13-7-9-14;;/h2-5,10,13H,6-9H2,1H3;2*1H/t10-;;/m0../s1
InChIKeyNFDVWEXXDWSQDX-XRIOVQLTSA-N
MW264.20 g/mol
LogP1.89
Rot. Bonds2

About 1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride

1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride (PubChem CID 171274136) has the molecular formula C11H19Cl2N3 and a molecular weight of 264.20 g/mol. Its IUPAC name is 1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride
PubChem CID171274136
Molecular FormulaC11H19Cl2N3
Molecular Weight264.20 g/mol
Exact Mass263.10
IUPAC Name1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride
SMILESC[C@@H](c1ccncc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C11H17N3.2ClH/c1-10(11-2-4-12-5-3-11)14-8-6-13-7-9-14;;/h2-5,10,13H,6-9H2,1H3;2*1H/t10-;;/m0../s1
InChIKeyNFDVWEXXDWSQDX-XRIOVQLTSA-N
XLogP1.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
CID 57383523
4-[(1S)-1-piperidin-1-ylethyl]pyridine
CID 11286966
N-methyl-2-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine
CID 116960994
5-ethyl-1-(1-pyridin-4-ylethyl)-1,4-diazepane
CID 54972784
1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine
CID 7047764
1-[1-[4-(4-fluorophenyl)phenyl]ethyl]piperazine
CID 22760403
1-[phenyl(pyridin-4-yl)methyl]piperazine
CID 5035634
4-[(1R)-1-piperazin-1-ylethyl]benzonitrile
CID 93464434
4-(1-piperazin-1-ylethyl)benzaldehyde
CID 105473045
1-[(1S)-1-thiophen-3-ylethyl]piperazine;dihydrochloride
CID 171280726
1-[(1R)-1-(4-nitrophenyl)ethyl]piperazine;dihydrochloride
CID 171285206
2-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine
CID 64930499

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride (CID 171274136) is 1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride is C[C@@H](c1ccncc1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride?
The InChIKey is NFDVWEXXDWSQDX-XRIOVQLTSA-N. The full InChI is InChI=1S/C11H17N3.2ClH/c1-10(11-2-4-12-5-3-11)14-8-6-13-7-9-14;;/h2-5,10,13H,6-9H2,1H3;2*1H/t10-;;/m0../s1.
What are the key properties of 1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride?
1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride has a molecular weight of 264.20 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171274136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).