4-[2-[4-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine

C22H35N7O — CID 53300936

IUPAC4-[2-[4-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine
SMILESCC(C)(C)n1nnnc1C(c1ccccc1)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C22H35N7O/c1-22(2,3)29-21(23-24-25-29)20(19-7-5-4-6-8-19)28-13-11-26(12-14-28)9-10-27-15-17-30-18-16-27/h4-8,20H,9-18H2,1-3H3
InChIKeyKXQZWWLPCQGZQC-UHFFFAOYSA-N
MW413.57 g/mol
LogP1.47
Rot. Bonds6

About 4-[2-[4-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine

4-[2-[4-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine (PubChem CID 53300936) has the molecular formula C22H35N7O and a molecular weight of 413.57 g/mol. Its IUPAC name is 4-[2-[4-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine
PubChem CID53300936
Molecular FormulaC22H35N7O
Molecular Weight413.57 g/mol
Exact Mass413.29
IUPAC Name4-[2-[4-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine
SMILESCC(C)(C)n1nnnc1C(c1ccccc1)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C22H35N7O/c1-22(2,3)29-21(23-24-25-29)20(19-7-5-4-6-8-19)28-13-11-26(12-14-28)9-10-27-15-17-30-18-16-27/h4-8,20H,9-18H2,1-3H3
InChIKeyKXQZWWLPCQGZQC-UHFFFAOYSA-N
XLogP1.47
TPSA62.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(R)-(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
CID 1443802
1-ethyl-4-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 1444406
1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine;hydrochloride
CID 6603424
1-benzhydryl-4-[(S)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine
CID 28626221
3-[(1-tert-butyltetrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol
CID 154929883
1-[(S)-(1-tert-butyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-ethylpiperazine
CID 1443946
1-[(1-tert-butyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-methylpiperazine
CID 3201741
N-tert-butyl-2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide
CID 86284396
4-[3-[5-[(S)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine;4-[3-[5-[(R)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine
CID 161027676
1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine
CID 3208984
1-[(1-tert-butyltetrazol-5-yl)-(2-chlorophenyl)methyl]-4-ethylpiperazine
CID 3209015
1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 6603093

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine (CID 53300936) is 4-[2-[4-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine is CC(C)(C)n1nnnc1C(c1ccccc1)N1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of 4-[2-[4-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine?
The InChIKey is KXQZWWLPCQGZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N7O/c1-22(2,3)29-21(23-24-25-29)20(19-7-5-4-6-8-19)28-13-11-26(12-14-28)9-10-27-15-17-30-18-16-27/h4-8,20H,9-18H2,1-3H3.
What are the key properties of 4-[2-[4-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine?
4-[2-[4-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine has a molecular weight of 413.57 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine is sourced from PubChem (CID 53300936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).