1-(3-methoxyphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine

C18H29N3O — CID 171069764

IUPAC1-(3-methoxyphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine
SMILESCOc1cccc(N2CCN(CC3CCN(C)CC3)CC2)c1
InChIInChI=1S/C18H29N3O/c1-19-8-6-16(7-9-19)15-20-10-12-21(13-11-20)17-4-3-5-18(14-17)22-2/h3-5,14,16H,6-13,15H2,1-2H3
InChIKeyNPSXGTLPEDVZST-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.16
Rot. Bonds4

About 1-(3-methoxyphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine

1-(3-methoxyphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine (PubChem CID 171069764) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine
PubChem CID171069764
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name1-(3-methoxyphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine
SMILESCOc1cccc(N2CCN(CC3CCN(C)CC3)CC2)c1
InChIInChI=1S/C18H29N3O/c1-19-8-6-16(7-9-19)15-20-10-12-21(13-11-20)17-4-3-5-18(14-17)22-2/h3-5,14,16H,6-13,15H2,1-2H3
InChIKeyNPSXGTLPEDVZST-UHFFFAOYSA-N
XLogP2.16
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxy-4-methylphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 171429564
butane;1-[(1-methylpiperidin-4-yl)methyl]-4-phenylpiperazine
CID 171069804
1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine
CID 10243741
1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409
1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine
CID 123493648
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
1,3-dimethoxybenzene;ethane;1-methyl-4-phenylpiperazine
CID 171522133
1-(6-chlorohexyl)-4-(3-methoxyphenyl)piperazine
CID 62229677
1-(3-methoxyphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine
CID 63715014
1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol
CID 141019589
3-[4-(cyclopentylmethyl)piperazin-1-yl]aniline
CID 61344824
(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 28599641

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine?
The IUPAC name of 1-(3-methoxyphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine (CID 171069764) is 1-(3-methoxyphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine?
The canonical SMILES for 1-(3-methoxyphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine is COc1cccc(N2CCN(CC3CCN(C)CC3)CC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine?
The InChIKey is NPSXGTLPEDVZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-19-8-6-16(7-9-19)15-20-10-12-21(13-11-20)17-4-3-5-18(14-17)22-2/h3-5,14,16H,6-13,15H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine?
1-(3-methoxyphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine has a molecular weight of 303.45 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 171069764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).