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

C22H35N7O — CID 53300970

IUPAC4-[2-[4-[(1-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine
SMILESCCCCn1nnnc1C(c1ccccc1)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C22H35N7O/c1-2-3-9-29-22(23-24-25-29)21(20-7-5-4-6-8-20)28-14-12-26(13-15-28)10-11-27-16-18-30-19-17-27/h4-8,21H,2-3,9-19H2,1H3
InChIKeyNFIANAVFUROJAD-UHFFFAOYSA-N
MW413.57 g/mol
LogP1.51
Rot. Bonds9

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

4-[2-[4-[(1-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine (PubChem CID 53300970) has the molecular formula C22H35N7O and a molecular weight of 413.57 g/mol. Its IUPAC name is 4-[2-[4-[(1-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[(1-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine
PubChem CID53300970
Molecular FormulaC22H35N7O
Molecular Weight413.57 g/mol
Exact Mass413.29
IUPAC Name4-[2-[4-[(1-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine
SMILESCCCCn1nnnc1C(c1ccccc1)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C22H35N7O/c1-2-3-9-29-22(23-24-25-29)21(20-7-5-4-6-8-20)28-14-12-26(13-15-28)10-11-27-16-18-30-19-17-27/h4-8,21H,2-3,9-19H2,1H3
InChIKeyNFIANAVFUROJAD-UHFFFAOYSA-N
XLogP1.51
TPSA62.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[(1-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[(1-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine (CID 53300970) is 4-[2-[4-[(1-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[(1-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[(1-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine is CCCCn1nnnc1C(c1ccccc1)N1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of 4-[2-[4-[(1-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine?
The InChIKey is NFIANAVFUROJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N7O/c1-2-3-9-29-22(23-24-25-29)21(20-7-5-4-6-8-20)28-14-12-26(13-15-28)10-11-27-16-18-30-19-17-27/h4-8,21H,2-3,9-19H2,1H3.
What are the key properties of 4-[2-[4-[(1-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine?
4-[2-[4-[(1-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine has a molecular weight of 413.57 g/mol, XLogP of 1.51, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[(1-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine is sourced from PubChem (CID 53300970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).