1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(2-methoxy-4-methylphenyl)piperazine

C22H37N3O — CID 171429427

IUPAC1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(2-methoxy-4-methylphenyl)piperazine
SMILESCOc1cc(C)ccc1N1CCN(CC2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C22H37N3O/c1-18-6-7-20(21(16-18)26-5)24-14-12-23(13-15-24)17-19-8-10-25(11-9-19)22(2,3)4/h6-7,16,19H,8-15,17H2,1-5H3
InChIKeyYUAXEZSIJCGLTI-UHFFFAOYSA-N
MW359.56 g/mol
LogP3.64
Rot. Bonds4

About 1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(2-methoxy-4-methylphenyl)piperazine

1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(2-methoxy-4-methylphenyl)piperazine (PubChem CID 171429427) has the molecular formula C22H37N3O and a molecular weight of 359.56 g/mol. Its IUPAC name is 1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(2-methoxy-4-methylphenyl)piperazine.

Molecular Properties

Compound Name1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(2-methoxy-4-methylphenyl)piperazine
PubChem CID171429427
Molecular FormulaC22H37N3O
Molecular Weight359.56 g/mol
Exact Mass359.29
IUPAC Name1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(2-methoxy-4-methylphenyl)piperazine
SMILESCOc1cc(C)ccc1N1CCN(CC2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C22H37N3O/c1-18-6-7-20(21(16-18)26-5)24-14-12-23(13-15-24)17-19-8-10-25(11-9-19)22(2,3)4/h6-7,16,19H,8-15,17H2,1-5H3
InChIKeyYUAXEZSIJCGLTI-UHFFFAOYSA-N
XLogP3.64
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.56
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
tert-butyl 4-[[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 171474596
1-(2-chloro-4-methylphenyl)-4-[(1-cyclopropyloxypiperidin-4-yl)methyl]piperazine
CID 143238058
tert-butyl 4-[[1-(4-amino-2-methoxyphenyl)piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 162754299
1-tert-butyl-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine
CID 171429399
9-[(1-tert-butylpiperidin-4-yl)methyl]-3-(4-methylphenyl)-3,9-diazaspiro[5.5]undecane
CID 171429413
1-(2-methoxy-4-methylphenyl)piperazine
CID 10488507
1-tert-butyl-4-[[3-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine
CID 171429424
2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-5-methylpyrimidine
CID 171429388
1-(3-methoxy-4-methylphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 171429564
1-tert-butyl-4-(cyclohexylmethyl)piperazine
CID 157130217
1-tert-butyl-5-[(1-tert-butylpiperidin-4-yl)methyl]-1,5-diazocane
CID 146549054

Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(2-methoxy-4-methylphenyl)piperazine?
The IUPAC name of 1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(2-methoxy-4-methylphenyl)piperazine (CID 171429427) is 1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(2-methoxy-4-methylphenyl)piperazine.
What is the SMILES notation for 1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(2-methoxy-4-methylphenyl)piperazine?
The canonical SMILES for 1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(2-methoxy-4-methylphenyl)piperazine is COc1cc(C)ccc1N1CCN(CC2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(2-methoxy-4-methylphenyl)piperazine?
The InChIKey is YUAXEZSIJCGLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O/c1-18-6-7-20(21(16-18)26-5)24-14-12-23(13-15-24)17-19-8-10-25(11-9-19)22(2,3)4/h6-7,16,19H,8-15,17H2,1-5H3.
What are the key properties of 1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(2-methoxy-4-methylphenyl)piperazine?
1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(2-methoxy-4-methylphenyl)piperazine has a molecular weight of 359.56 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(2-methoxy-4-methylphenyl)piperazine is sourced from PubChem (CID 171429427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).