1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-butylpiperazine

C33H37N3O2 — CID 175796163

IUPAC1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-butylpiperazine
SMILESCCCCN1CCN(c2ccc(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)cc2)CC1
InChIInChI=1S/C33H37N3O2/c1-2-3-20-35-21-23-36(24-22-35)30-16-14-29(15-17-30)31-18-19-32(37-25-27-10-6-4-7-11-27)34-33(31)38-26-28-12-8-5-9-13-28/h4-19H,2-3,20-26H2,1H3
InChIKeyMGXGTJDLHZRUIG-UHFFFAOYSA-N
MW507.68 g/mol
LogP6.83
Rot. Bonds11

About 1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-butylpiperazine

1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-butylpiperazine (PubChem CID 175796163) has the molecular formula C33H37N3O2 and a molecular weight of 507.68 g/mol. Its IUPAC name is 1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-butylpiperazine.

Molecular Properties

Compound Name1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-butylpiperazine
PubChem CID175796163
Molecular FormulaC33H37N3O2
Molecular Weight507.68 g/mol
Exact Mass507.29
IUPAC Name1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-butylpiperazine
SMILESCCCCN1CCN(c2ccc(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)cc2)CC1
InChIInChI=1S/C33H37N3O2/c1-2-3-20-35-21-23-36(24-22-35)30-16-14-29(15-17-30)31-18-19-32(37-25-27-10-6-4-7-11-27)34-33(31)38-26-28-12-8-5-9-13-28/h4-19H,2-3,20-26H2,1H3
InChIKeyMGXGTJDLHZRUIG-UHFFFAOYSA-N
XLogP6.83
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.68
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperazine
CID 171491745
tert-butyl 4-[[4-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 166112889
2,6-bis(phenylmethoxy)-3-(4-pyrrol-1-ylphenyl)pyridine
CID 175543369
6-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-6-azaspiro[3.4]octan-2-one
CID 172630666
[(2R)-4-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]morpholin-2-yl]methanol
CID 176885958
tert-butyl N-[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperidin-4-yl]carbamate
CID 171431395
3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine
CID 163203487
[8-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methanol
CID 172630476
tert-butyl 3-[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperidin-4-yl]oxyazetidine-1-carboxylate;ethane
CID 177361987
tert-butyl 6-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 170979767
1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperidin-4-one
CID 170007907
[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol
CID 166113291

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-butylpiperazine?
The IUPAC name of 1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-butylpiperazine (CID 175796163) is 1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-butylpiperazine.
What is the SMILES notation for 1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-butylpiperazine?
The canonical SMILES for 1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-butylpiperazine is CCCCN1CCN(c2ccc(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)cc2)CC1.
What is the InChIKey of 1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-butylpiperazine?
The InChIKey is MGXGTJDLHZRUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N3O2/c1-2-3-20-35-21-23-36(24-22-35)30-16-14-29(15-17-30)31-18-19-32(37-25-27-10-6-4-7-11-27)34-33(31)38-26-28-12-8-5-9-13-28/h4-19H,2-3,20-26H2,1H3.
What are the key properties of 1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-butylpiperazine?
1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-butylpiperazine has a molecular weight of 507.68 g/mol, XLogP of 6.83, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-butylpiperazine is sourced from PubChem (CID 175796163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).