1-(3-chlorophenyl)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]piperazin-4-ium

C19H28ClN6+ — CID 7140529

IUPAC1-(3-chlorophenyl)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]piperazin-4-ium
SMILESC[C@H](c1nnnn1C1CCCCC1)[NH+]1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H27ClN6/c1-15(19-21-22-23-26(19)17-7-3-2-4-8-17)24-10-12-25(13-11-24)18-9-5-6-16(20)14-18/h5-6,9,14-15,17H,2-4,7-8,10-13H2,1H3/p+1/t15-/m1/s1
InChIKeyKVTYMLGWRTXHAY-OAHLLOKOSA-O
MW375.93 g/mol
LogP2.30
Rot. Bonds4

About 1-(3-chlorophenyl)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]piperazin-4-ium

1-(3-chlorophenyl)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]piperazin-4-ium (PubChem CID 7140529) has the molecular formula C19H28ClN6+ and a molecular weight of 375.93 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]piperazin-4-ium.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]piperazin-4-ium
PubChem CID7140529
Molecular FormulaC19H28ClN6+
Molecular Weight375.93 g/mol
Exact Mass375.21
IUPAC Name1-(3-chlorophenyl)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]piperazin-4-ium
SMILESC[C@H](c1nnnn1C1CCCCC1)[NH+]1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H27ClN6/c1-15(19-21-22-23-26(19)17-7-3-2-4-8-17)24-10-12-25(13-11-24)18-9-5-6-16(20)14-18/h5-6,9,14-15,17H,2-4,7-8,10-13H2,1H3/p+1/t15-/m1/s1
InChIKeyKVTYMLGWRTXHAY-OAHLLOKOSA-O
XLogP2.30
TPSA51.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.93
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazin-1-ium
CID 7383550
1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazin-1-ium
CID 7383704
1-(3-chlorophenyl)-4-[(S)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine
CID 1431474
1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-(4-methoxyphenyl)piperazin-1-ium
CID 7383798
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)butyl]-4-(4-nitrophenyl)piperazin-1-ium
CID 7383565
1-(3-chlorophenyl)-4-[(1S)-2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-4-ium
CID 7389571
4-[4-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazin-4-ium-1-yl]phenol
CID 7140482
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)butyl]-4-(4-methoxyphenyl)piperazin-1-ium
CID 7383579
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
CID 1443350
1-cyclohexyl-5-[(1R)-1-(3-methylphenyl)sulfonylethyl]tetrazole
CID 129399794
N-[(S)-(3-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]-2-methylaniline
CID 7039536
1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazine
CID 1443209

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]piperazin-4-ium?
The IUPAC name of 1-(3-chlorophenyl)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]piperazin-4-ium (CID 7140529) is 1-(3-chlorophenyl)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]piperazin-4-ium.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]piperazin-4-ium?
The canonical SMILES for 1-(3-chlorophenyl)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]piperazin-4-ium is C[C@H](c1nnnn1C1CCCCC1)[NH+]1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]piperazin-4-ium?
The InChIKey is KVTYMLGWRTXHAY-OAHLLOKOSA-O. The full InChI is InChI=1S/C19H27ClN6/c1-15(19-21-22-23-26(19)17-7-3-2-4-8-17)24-10-12-25(13-11-24)18-9-5-6-16(20)14-18/h5-6,9,14-15,17H,2-4,7-8,10-13H2,1H3/p+1/t15-/m1/s1.
What are the key properties of 1-(3-chlorophenyl)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]piperazin-4-ium?
1-(3-chlorophenyl)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]piperazin-4-ium has a molecular weight of 375.93 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]piperazin-4-ium is sourced from PubChem (CID 7140529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).