1-[(1-tert-butyltetrazol-5-yl)-(2-chlorophenyl)methyl]-4-ethylpiperazine

C18H27ClN6 — CID 3209015

IUPAC1-[(1-tert-butyltetrazol-5-yl)-(2-chlorophenyl)methyl]-4-ethylpiperazine
SMILESCCN1CCN(C(c2ccccc2Cl)c2nnnn2C(C)(C)C)CC1
InChIInChI=1S/C18H27ClN6/c1-5-23-10-12-24(13-11-23)16(14-8-6-7-9-15(14)19)17-20-21-22-25(17)18(2,3)4/h6-9,16H,5,10-13H2,1-4H3
InChIKeyRIXXZWFJEFPDMH-UHFFFAOYSA-N
MW362.91 g/mol
LogP2.81
Rot. Bonds4

About 1-[(1-tert-butyltetrazol-5-yl)-(2-chlorophenyl)methyl]-4-ethylpiperazine

1-[(1-tert-butyltetrazol-5-yl)-(2-chlorophenyl)methyl]-4-ethylpiperazine (PubChem CID 3209015) has the molecular formula C18H27ClN6 and a molecular weight of 362.91 g/mol. Its IUPAC name is 1-[(1-tert-butyltetrazol-5-yl)-(2-chlorophenyl)methyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[(1-tert-butyltetrazol-5-yl)-(2-chlorophenyl)methyl]-4-ethylpiperazine
PubChem CID3209015
Molecular FormulaC18H27ClN6
Molecular Weight362.91 g/mol
Exact Mass362.20
IUPAC Name1-[(1-tert-butyltetrazol-5-yl)-(2-chlorophenyl)methyl]-4-ethylpiperazine
SMILESCCN1CCN(C(c2ccccc2Cl)c2nnnn2C(C)(C)C)CC1
InChIInChI=1S/C18H27ClN6/c1-5-23-10-12-24(13-11-23)16(14-8-6-7-9-15(14)19)17-20-21-22-25(17)18(2,3)4/h6-9,16H,5,10-13H2,1-4H3
InChIKeyRIXXZWFJEFPDMH-UHFFFAOYSA-N
XLogP2.81
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.91
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(S)-(1-tert-butyltetrazol-5-yl)-(2-chlorophenyl)methyl]-4-phenylpiperazine
CID 1444196
1-[(S)-(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-ethylpiperazine
CID 51685587
1-ethyl-4-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 1444406
1-[(S)-(1-tert-butyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-ethylpiperazine
CID 1443946
1-[(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride
CID 171700127
1-[(R)-(2-chlorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-4-ethylpiperazine
CID 1445953
1-[(S)-(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-methylpiperazine
CID 1444157
6-[(1-tert-butyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]quinoline
CID 43811824
3-[(R)-(1-tert-butyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 1173540
4-[2-[4-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine
CID 53300936
1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 6603093
1-benzyl-4-[1-(1-tert-butyltetrazol-5-yl)propyl]piperazine;hydrochloride
CID 171668184

Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)-(2-chlorophenyl)methyl]-4-ethylpiperazine?
The IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)-(2-chlorophenyl)methyl]-4-ethylpiperazine (CID 3209015) is 1-[(1-tert-butyltetrazol-5-yl)-(2-chlorophenyl)methyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[(1-tert-butyltetrazol-5-yl)-(2-chlorophenyl)methyl]-4-ethylpiperazine?
The canonical SMILES for 1-[(1-tert-butyltetrazol-5-yl)-(2-chlorophenyl)methyl]-4-ethylpiperazine is CCN1CCN(C(c2ccccc2Cl)c2nnnn2C(C)(C)C)CC1.
What is the InChIKey of 1-[(1-tert-butyltetrazol-5-yl)-(2-chlorophenyl)methyl]-4-ethylpiperazine?
The InChIKey is RIXXZWFJEFPDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN6/c1-5-23-10-12-24(13-11-23)16(14-8-6-7-9-15(14)19)17-20-21-22-25(17)18(2,3)4/h6-9,16H,5,10-13H2,1-4H3.
What are the key properties of 1-[(1-tert-butyltetrazol-5-yl)-(2-chlorophenyl)methyl]-4-ethylpiperazine?
1-[(1-tert-butyltetrazol-5-yl)-(2-chlorophenyl)methyl]-4-ethylpiperazine has a molecular weight of 362.91 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-tert-butyltetrazol-5-yl)-(2-chlorophenyl)methyl]-4-ethylpiperazine is sourced from PubChem (CID 3209015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).