1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazin-1-ium

C20H31N6O+ — CID 7383704

IUPAC1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazin-1-ium
SMILESCC[C@H](c1nnnn1C1CCCC1)[NH+]1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C20H30N6O/c1-3-19(20-21-22-23-26(20)16-7-4-5-8-16)25-13-11-24(12-14-25)17-9-6-10-18(15-17)27-2/h6,9-10,15-16,19H,3-5,7-8,11-14H2,1-2H3/p+1/t19-/m1/s1
InChIKeyJQEWCMQTPNSFRI-LJQANCHMSA-O
MW371.51 g/mol
LogP1.65
Rot. Bonds6

About 1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazin-1-ium

1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazin-1-ium (PubChem CID 7383704) has the molecular formula C20H31N6O+ and a molecular weight of 371.51 g/mol. Its IUPAC name is 1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazin-1-ium.

Molecular Properties

Compound Name1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazin-1-ium
PubChem CID7383704
Molecular FormulaC20H31N6O+
Molecular Weight371.51 g/mol
Exact Mass371.26
IUPAC Name1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazin-1-ium
SMILESCC[C@H](c1nnnn1C1CCCC1)[NH+]1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C20H30N6O/c1-3-19(20-21-22-23-26(20)16-7-4-5-8-16)25-13-11-24(12-14-25)17-9-6-10-18(15-17)27-2/h6,9-10,15-16,19H,3-5,7-8,11-14H2,1-2H3/p+1/t19-/m1/s1
InChIKeyJQEWCMQTPNSFRI-LJQANCHMSA-O
XLogP1.65
TPSA60.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazin-1-ium with MolForge

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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)piperazine
CID 1443209
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)butyl]-4-(4-methoxyphenyl)piperazin-1-ium
CID 7383579
1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-(4-methoxyphenyl)piperazin-1-ium
CID 7383798
1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)pentyl]-4-(4-methoxyphenyl)piperazin-1-ium
CID 7383783
1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-(3-methoxyphenyl)piperazin-1-ium
CID 7388089
1-(3-chlorophenyl)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]piperazin-4-ium
CID 7140529
1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]-4-(3-methoxyphenyl)piperazin-1-ium
CID 7098188
1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazin-1-ium
CID 6985994
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-(4-methoxyphenyl)piperazin-1-ium
CID 7383943
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)butyl]-4-(4-nitrophenyl)piperazin-1-ium
CID 7383565
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine-1,4-diium
CID 7224059

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazin-1-ium?
The IUPAC name of 1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazin-1-ium (CID 7383704) is 1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazin-1-ium.
What is the SMILES notation for 1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazin-1-ium?
The canonical SMILES for 1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazin-1-ium is CC[C@H](c1nnnn1C1CCCC1)[NH+]1CCN(c2cccc(OC)c2)CC1.
What is the InChIKey of 1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazin-1-ium?
The InChIKey is JQEWCMQTPNSFRI-LJQANCHMSA-O. The full InChI is InChI=1S/C20H30N6O/c1-3-19(20-21-22-23-26(20)16-7-4-5-8-16)25-13-11-24(12-14-25)17-9-6-10-18(15-17)27-2/h6,9-10,15-16,19H,3-5,7-8,11-14H2,1-2H3/p+1/t19-/m1/s1.
What are the key properties of 1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazin-1-ium?
1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazin-1-ium has a molecular weight of 371.51 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazin-1-ium is sourced from PubChem (CID 7383704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).