1-[(1R)-1-(2-chloro-3-pyridinyl)pent-4-enyl]piperazine;dihydrochloride

C14H22Cl3N3 — CID 171285782

IUPAC1-[(1R)-1-(2-chloro-3-pyridinyl)pent-4-enyl]piperazine;dihydrochloride
SMILESC=CCC[C@H](c1cccnc1Cl)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H20ClN3.2ClH/c1-2-3-6-13(18-10-8-16-9-11-18)12-5-4-7-17-14(12)15;;/h2,4-5,7,13,16H,1,3,6,8-11H2;2*1H/t13-;;/m1../s1
InChIKeyDNUUYECBFAIOKT-FFXKMJQXSA-N
MW338.71 g/mol
LogP3.49
Rot. Bonds5

About 1-[(1R)-1-(2-chloro-3-pyridinyl)pent-4-enyl]piperazine;dihydrochloride

1-[(1R)-1-(2-chloro-3-pyridinyl)pent-4-enyl]piperazine;dihydrochloride (PubChem CID 171285782) has the molecular formula C14H22Cl3N3 and a molecular weight of 338.71 g/mol. Its IUPAC name is 1-[(1R)-1-(2-chloro-3-pyridinyl)pent-4-enyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2-chloro-3-pyridinyl)pent-4-enyl]piperazine;dihydrochloride
PubChem CID171285782
Molecular FormulaC14H22Cl3N3
Molecular Weight338.71 g/mol
Exact Mass337.09
IUPAC Name1-[(1R)-1-(2-chloro-3-pyridinyl)pent-4-enyl]piperazine;dihydrochloride
SMILESC=CCC[C@H](c1cccnc1Cl)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H20ClN3.2ClH/c1-2-3-6-13(18-10-8-16-9-11-18)12-5-4-7-17-14(12)15;;/h2,4-5,7,13,16H,1,3,6,8-11H2;2*1H/t13-;;/m1../s1
InChIKeyDNUUYECBFAIOKT-FFXKMJQXSA-N
XLogP3.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.71
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-(2-chloro-3-pyridinyl)but-3-enyl]piperazine;dihydrochloride
CID 171273130
1-[(1S)-1-(2-chloro-3-pyridinyl)prop-2-enyl]piperazine;dihydrochloride
CID 171273123
1-[(1S)-1-(2-chloro-3-pyridinyl)-3-methylbutyl]piperazine
CID 171273149
2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171274672
1-[(1S)-1-(2-chloro-3-pyridinyl)-3,3,3-trifluoropropyl]piperazine
CID 171302356
1-[(1R)-1-(2,6-dichlorophenyl)pent-4-enyl]piperazine
CID 171284992
1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine
CID 171292685
1-[(1S)-1-(2,3-difluorophenyl)pent-4-enyl]piperazine
CID 171276987
1-[(1R)-1-(2,3-difluorophenyl)pent-4-enyl]piperazine
CID 171289612
1-[(1S)-1-(5-chloro-2-fluorophenyl)pent-4-enyl]piperazine
CID 171275471
1-[(1S)-1-(5-chloro-2-methoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171283386
2-[(1R)-1-piperazin-1-ylpent-4-enyl]benzonitrile
CID 171288074

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-chloro-3-pyridinyl)pent-4-enyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2-chloro-3-pyridinyl)pent-4-enyl]piperazine;dihydrochloride (CID 171285782) is 1-[(1R)-1-(2-chloro-3-pyridinyl)pent-4-enyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2-chloro-3-pyridinyl)pent-4-enyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2-chloro-3-pyridinyl)pent-4-enyl]piperazine;dihydrochloride is C=CCC[C@H](c1cccnc1Cl)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(2-chloro-3-pyridinyl)pent-4-enyl]piperazine;dihydrochloride?
The InChIKey is DNUUYECBFAIOKT-FFXKMJQXSA-N. The full InChI is InChI=1S/C14H20ClN3.2ClH/c1-2-3-6-13(18-10-8-16-9-11-18)12-5-4-7-17-14(12)15;;/h2,4-5,7,13,16H,1,3,6,8-11H2;2*1H/t13-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(2-chloro-3-pyridinyl)pent-4-enyl]piperazine;dihydrochloride?
1-[(1R)-1-(2-chloro-3-pyridinyl)pent-4-enyl]piperazine;dihydrochloride has a molecular weight of 338.71 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-chloro-3-pyridinyl)pent-4-enyl]piperazine;dihydrochloride is sourced from PubChem (CID 171285782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).