1-[(R)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(pyridin-4-ylmethyl)piperazine

C25H27N7 — CID 1446160

IUPAC1-[(R)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(pyridin-4-ylmethyl)piperazine
SMILESc1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C25H27N7/c1-3-7-21(8-4-1)20-32-25(27-28-29-32)24(23-9-5-2-6-10-23)31-17-15-30(16-18-31)19-22-11-13-26-14-12-22/h1-14,24H,15-20H2/t24-/m1/s1
InChIKeyIRXWUTZQXNNIHS-XMMPIXPASA-N
MW425.54 g/mol
LogP3.02
Rot. Bonds7

About 1-[(R)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(pyridin-4-ylmethyl)piperazine

1-[(R)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(pyridin-4-ylmethyl)piperazine (PubChem CID 1446160) has the molecular formula C25H27N7 and a molecular weight of 425.54 g/mol. Its IUPAC name is 1-[(R)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(pyridin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[(R)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(pyridin-4-ylmethyl)piperazine
PubChem CID1446160
Molecular FormulaC25H27N7
Molecular Weight425.54 g/mol
Exact Mass425.23
IUPAC Name1-[(R)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(pyridin-4-ylmethyl)piperazine
SMILESc1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C25H27N7/c1-3-7-21(8-4-1)20-32-25(27-28-29-32)24(23-9-5-2-6-10-23)31-17-15-30(16-18-31)19-22-11-13-26-14-12-22/h1-14,24H,15-20H2/t24-/m1/s1
InChIKeyIRXWUTZQXNNIHS-XMMPIXPASA-N
XLogP3.02
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(1-benzyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine
CID 648580
1-benzyl-4-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine
CID 1446262
1-benzyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 3209274
1-benzyl-4-[(R)-(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine
CID 51625873
1-benzyl-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(4-methylphenyl)methyl]piperazine
CID 3209973
1-benzyl-4-[(S)-(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 1448470
1-benzyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride
CID 171668525
1-ethyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]piperazine;hydrochloride
CID 171669823
1-[(S)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(2-fluorophenyl)piperazine
CID 1446149
1-benzyl-4-[(1-benzyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine
CID 3209730
1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;deuteriomethane
CID 167557248
1-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-ethylpiperazine
CID 7396387

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of 1-[(R)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(pyridin-4-ylmethyl)piperazine (CID 1446160) is 1-[(R)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for 1-[(R)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for 1-[(R)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(pyridin-4-ylmethyl)piperazine is c1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CCN(Cc3ccncc3)CC2)cc1.
What is the InChIKey of 1-[(R)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(pyridin-4-ylmethyl)piperazine?
The InChIKey is IRXWUTZQXNNIHS-XMMPIXPASA-N. The full InChI is InChI=1S/C25H27N7/c1-3-7-21(8-4-1)20-32-25(27-28-29-32)24(23-9-5-2-6-10-23)31-17-15-30(16-18-31)19-22-11-13-26-14-12-22/h1-14,24H,15-20H2/t24-/m1/s1.
What are the key properties of 1-[(R)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(pyridin-4-ylmethyl)piperazine?
1-[(R)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(pyridin-4-ylmethyl)piperazine has a molecular weight of 425.54 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 1446160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).