1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine

C25H32N6 — CID 1443349

IUPAC1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine
SMILESCc1ccc(C)c(N2CCN([C@H](c3ccccc3)c3nnnn3C3CCCC3)CC2)c1
InChIInChI=1S/C25H32N6/c1-19-12-13-20(2)23(18-19)29-14-16-30(17-15-29)24(21-8-4-3-5-9-21)25-26-27-28-31(25)22-10-6-7-11-22/h3-5,8-9,12-13,18,22,24H,6-7,10-11,14-17H2,1-2H3/t24-/m1/s1
InChIKeyPGUJJGRZRMYAPP-XMMPIXPASA-N
MW416.57 g/mol
LogP4.32
Rot. Bonds5

About 1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine

1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine (PubChem CID 1443349) has the molecular formula C25H32N6 and a molecular weight of 416.57 g/mol. Its IUPAC name is 1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine
PubChem CID1443349
Molecular FormulaC25H32N6
Molecular Weight416.57 g/mol
Exact Mass416.27
IUPAC Name1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine
SMILESCc1ccc(C)c(N2CCN([C@H](c3ccccc3)c3nnnn3C3CCCC3)CC2)c1
InChIInChI=1S/C25H32N6/c1-19-12-13-20(2)23(18-19)29-14-16-30(17-15-29)24(21-8-4-3-5-9-21)25-26-27-28-31(25)22-10-6-7-11-22/h3-5,8-9,12-13,18,22,24H,6-7,10-11,14-17H2,1-2H3/t24-/m1/s1
InChIKeyPGUJJGRZRMYAPP-XMMPIXPASA-N
XLogP4.32
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(2,5-dimethylphenyl)piperazine
CID 1443517
1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine
CID 3208714
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
CID 1443350
3-[(S)-(1-cyclopentyltetrazol-5-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-8-methyl-1H-quinolin-2-one
CID 1158436
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine
CID 858129
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1443400
3-[(S)-(1-cyclohexyltetrazol-5-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 1156955
3-[(1-cyclopentyltetrazol-5-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 3183072
1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
CID 3201581
1-[(R)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
CID 858112
1-cyclohexyl-4-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazine
CID 3208575
7-[(R)-(1-cyclohexyltetrazol-5-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1161013

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine?
The IUPAC name of 1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine (CID 1443349) is 1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine.
What is the SMILES notation for 1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine?
The canonical SMILES for 1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine is Cc1ccc(C)c(N2CCN([C@H](c3ccccc3)c3nnnn3C3CCCC3)CC2)c1.
What is the InChIKey of 1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine?
The InChIKey is PGUJJGRZRMYAPP-XMMPIXPASA-N. The full InChI is InChI=1S/C25H32N6/c1-19-12-13-20(2)23(18-19)29-14-16-30(17-15-29)24(21-8-4-3-5-9-21)25-26-27-28-31(25)22-10-6-7-11-22/h3-5,8-9,12-13,18,22,24H,6-7,10-11,14-17H2,1-2H3/t24-/m1/s1.
What are the key properties of 1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine?
1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine has a molecular weight of 416.57 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine is sourced from PubChem (CID 1443349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).