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

C20H30N6O — CID 1443209

IUPAC1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazine
SMILESCC[C@H](c1nnnn1C1CCCC1)N1CCN(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/t19-/m1/s1
InChIKeyJQEWCMQTPNSFRI-LJQANCHMSA-N
MW370.50 g/mol
LogP3.07
Rot. Bonds6

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

1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazine (PubChem CID 1443209) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazine
PubChem CID1443209
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazine
SMILESCC[C@H](c1nnnn1C1CCCC1)N1CCN(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/t19-/m1/s1
InChIKeyJQEWCMQTPNSFRI-LJQANCHMSA-N
XLogP3.07
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazine;hydrochloride
CID 175654215
1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazin-1-ium
CID 7383704
1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(4-methoxyphenyl)piperazine
CID 3208679
1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(4-methoxyphenyl)piperazine
CID 1443256
1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-(4-methoxyphenyl)piperazine
CID 3208545
1-[1-(1-cyclopentyltetrazol-5-yl)pentyl]-4-(4-methoxyphenyl)piperazine
CID 3208700
1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine
CID 647944
1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-methylpiperazine
CID 3208531
1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine;hydrochloride
CID 171668130
1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine
CID 3208678
2-[4-[1-(1-cyclohexyltetrazol-5-yl)propyl]piperazin-1-yl]-1,3-benzothiazole
CID 3700083
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-phenylpiperazine
CID 1443560

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazine?
The IUPAC name of 1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazine (CID 1443209) is 1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazine is CC[C@H](c1nnnn1C1CCCC1)N1CCN(c2cccc(OC)c2)CC1.
What is the InChIKey of 1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazine?
The InChIKey is JQEWCMQTPNSFRI-LJQANCHMSA-N. 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/t19-/m1/s1.
What are the key properties of 1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazine?
1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazine has a molecular weight of 370.50 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazine is sourced from PubChem (CID 1443209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).