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

C19H31N3O — CID 171429564

IUPAC1-(3-methoxy-4-methylphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine
SMILESCOc1cc(N2CCN(CC3CCN(C)CC3)CC2)ccc1C
InChIInChI=1S/C19H31N3O/c1-16-4-5-18(14-19(16)23-3)22-12-10-21(11-13-22)15-17-6-8-20(2)9-7-17/h4-5,14,17H,6-13,15H2,1-3H3
InChIKeyLQAKQRUCEDUQBR-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.47
Rot. Bonds4

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

1-(3-methoxy-4-methylphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine (PubChem CID 171429564) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 1-(3-methoxy-4-methylphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(3-methoxy-4-methylphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine
PubChem CID171429564
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name1-(3-methoxy-4-methylphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine
SMILESCOc1cc(N2CCN(CC3CCN(C)CC3)CC2)ccc1C
InChIInChI=1S/C19H31N3O/c1-16-4-5-18(14-19(16)23-3)22-12-10-21(11-13-22)15-17-6-8-20(2)9-7-17/h4-5,14,17H,6-13,15H2,1-3H3
InChIKeyLQAKQRUCEDUQBR-UHFFFAOYSA-N
XLogP2.47
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 171069764
1-[[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]methyl]-4-methylpiperazine
CID 66710854
5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylaniline
CID 62911812
butane;1-[(1-methylpiperidin-4-yl)methyl]-4-phenylpiperazine
CID 171069804
1-[3-(2-methoxyethoxy)-4-methylphenyl]-4-(piperidin-3-ylmethyl)piperazine
CID 175944951
1-(3,4-dimethoxyphenyl)-4-methylpiperazine
CID 21363782
1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine
CID 143061679
ethane;1-(3-methoxy-4-methylphenyl)piperazine
CID 144693036
ethane;1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]ethanone
CID 142419477
1-(3,4-dimethylphenyl)-4-methylpiperazine
CID 21363783
6-methoxy-5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]indazole
CID 164567245
[1-(4-methoxy-3-methylphenyl)piperidin-4-yl]methanol
CID 126696055

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-methylphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine?
The IUPAC name of 1-(3-methoxy-4-methylphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine (CID 171429564) is 1-(3-methoxy-4-methylphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine.
What is the SMILES notation for 1-(3-methoxy-4-methylphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine?
The canonical SMILES for 1-(3-methoxy-4-methylphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine is COc1cc(N2CCN(CC3CCN(C)CC3)CC2)ccc1C.
What is the InChIKey of 1-(3-methoxy-4-methylphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine?
The InChIKey is LQAKQRUCEDUQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-16-4-5-18(14-19(16)23-3)22-12-10-21(11-13-22)15-17-6-8-20(2)9-7-17/h4-5,14,17H,6-13,15H2,1-3H3.
What are the key properties of 1-(3-methoxy-4-methylphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine?
1-(3-methoxy-4-methylphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine has a molecular weight of 317.48 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-methylphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 171429564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).