(3R)-1-[(3-methoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]-3-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)piperazine

C24H38N2O2 — CID 168755329

IUPAC(3R)-1-[(3-methoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]-3-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)piperazine
SMILESCOC1C=C(CN2CCN[C@H](C3=C(C(C)C)CCC=C3)C2)C=CC1OC(C)C
InChIInChI=1S/C24H38N2O2/c1-17(2)20-8-6-7-9-21(20)22-16-26(13-12-25-22)15-19-10-11-23(28-18(3)4)24(14-19)27-5/h7,9-11,14,17-18,22-25H,6,8,12-13,15-16H2,1-5H3/t22-,23?,24?/m0/s1
InChIKeyQQNCIYIOMUNNON-BOMBAVFCSA-N
MW386.58 g/mol
LogP3.87
Rot. Bonds7

About (3R)-1-[(3-methoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]-3-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)piperazine

(3R)-1-[(3-methoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]-3-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)piperazine (PubChem CID 168755329) has the molecular formula C24H38N2O2 and a molecular weight of 386.58 g/mol. Its IUPAC name is (3R)-1-[(3-methoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]-3-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)piperazine.

Molecular Properties

Compound Name(3R)-1-[(3-methoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]-3-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)piperazine
PubChem CID168755329
Molecular FormulaC24H38N2O2
Molecular Weight386.58 g/mol
Exact Mass386.29
IUPAC Name(3R)-1-[(3-methoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]-3-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)piperazine
SMILESCOC1C=C(CN2CCN[C@H](C3=C(C(C)C)CCC=C3)C2)C=CC1OC(C)C
InChIInChI=1S/C24H38N2O2/c1-17(2)20-8-6-7-9-21(20)22-16-26(13-12-25-22)15-19-10-11-23(28-18(3)4)24(14-19)27-5/h7,9-11,14,17-18,22-25H,6,8,12-13,15-16H2,1-5H3/t22-,23?,24?/m0/s1
InChIKeyQQNCIYIOMUNNON-BOMBAVFCSA-N
XLogP3.87
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[(3-methoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]-3-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)piperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-methoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]-3-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)piperazine?
The IUPAC name of (3R)-1-[(3-methoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]-3-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)piperazine (CID 168755329) is (3R)-1-[(3-methoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]-3-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)piperazine.
What is the SMILES notation for (3R)-1-[(3-methoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]-3-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)piperazine?
The canonical SMILES for (3R)-1-[(3-methoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]-3-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)piperazine is COC1C=C(CN2CCN[C@H](C3=C(C(C)C)CCC=C3)C2)C=CC1OC(C)C.
What is the InChIKey of (3R)-1-[(3-methoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]-3-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)piperazine?
The InChIKey is QQNCIYIOMUNNON-BOMBAVFCSA-N. The full InChI is InChI=1S/C24H38N2O2/c1-17(2)20-8-6-7-9-21(20)22-16-26(13-12-25-22)15-19-10-11-23(28-18(3)4)24(14-19)27-5/h7,9-11,14,17-18,22-25H,6,8,12-13,15-16H2,1-5H3/t22-,23?,24?/m0/s1.
What are the key properties of (3R)-1-[(3-methoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]-3-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)piperazine?
(3R)-1-[(3-methoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]-3-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)piperazine has a molecular weight of 386.58 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-methoxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]-3-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)piperazine is sourced from PubChem (CID 168755329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).