1-(3-chlorophenyl)-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine

C21H25ClN6O — CID 51684897

IUPAC1-(3-chlorophenyl)-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine
SMILESCOCCn1nnnc1[C@@H](c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H25ClN6O/c1-29-15-14-28-21(23-24-25-28)20(17-6-3-2-4-7-17)27-12-10-26(11-13-27)19-9-5-8-18(22)16-19/h2-9,16,20H,10-15H2,1H3/t20-/m1/s1
InChIKeyNYAMHKCCLDNVKV-HXUWFJFHSA-N
MW412.93 g/mol
LogP2.88
Rot. Bonds7

About 1-(3-chlorophenyl)-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine

1-(3-chlorophenyl)-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine (PubChem CID 51684897) has the molecular formula C21H25ClN6O and a molecular weight of 412.93 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine
PubChem CID51684897
Molecular FormulaC21H25ClN6O
Molecular Weight412.93 g/mol
Exact Mass412.18
IUPAC Name1-(3-chlorophenyl)-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine
SMILESCOCCn1nnnc1[C@@H](c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H25ClN6O/c1-29-15-14-28-21(23-24-25-28)20(17-6-3-2-4-7-17)27-12-10-26(11-13-27)19-9-5-8-18(22)16-19/h2-9,16,20H,10-15H2,1H3/t20-/m1/s1
InChIKeyNYAMHKCCLDNVKV-HXUWFJFHSA-N
XLogP2.88
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.93
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[4-(3-chlorophenyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]benzonitrile
CID 3229235
1-(3-chlorophenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171668302
1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-phenylpiperazine
CID 3209327
1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-(4-methoxyphenyl)piperazine
CID 3209273
1-benzyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 3209274
1-(2-fluorophenyl)-4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 7388373
1-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3209292
1-benzhydryl-4-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]piperazine
CID 51625662
1-[(S)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine
CID 51685851
1-benzhydryl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine
CID 51625660
1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-phenylpiperazine
CID 3209960
1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 3209284

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine (CID 51684897) is 1-(3-chlorophenyl)-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine is COCCn1nnnc1[C@@H](c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine?
The InChIKey is NYAMHKCCLDNVKV-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25ClN6O/c1-29-15-14-28-21(23-24-25-28)20(17-6-3-2-4-7-17)27-12-10-26(11-13-27)19-9-5-8-18(22)16-19/h2-9,16,20H,10-15H2,1H3/t20-/m1/s1.
What are the key properties of 1-(3-chlorophenyl)-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine?
1-(3-chlorophenyl)-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine has a molecular weight of 412.93 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine is sourced from PubChem (CID 51684897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).