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

C22H37N3 — CID 171069605

IUPAC1-[2-(4-tert-butylpiperidin-1-yl)ethyl]-4-(4-methylphenyl)piperazine
SMILESCc1ccc(N2CCN(CCN3CCC(C(C)(C)C)CC3)CC2)cc1
InChIInChI=1S/C22H37N3/c1-19-5-7-21(8-6-19)25-17-15-24(16-18-25)14-13-23-11-9-20(10-12-23)22(2,3)4/h5-8,20H,9-18H2,1-4H3
InChIKeyHHDUTZHTIDVZCT-UHFFFAOYSA-N
MW343.56 g/mol
LogP3.88
Rot. Bonds4

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

1-[2-(4-tert-butylpiperidin-1-yl)ethyl]-4-(4-methylphenyl)piperazine (PubChem CID 171069605) has the molecular formula C22H37N3 and a molecular weight of 343.56 g/mol. Its IUPAC name is 1-[2-(4-tert-butylpiperidin-1-yl)ethyl]-4-(4-methylphenyl)piperazine.

Molecular Properties

Compound Name1-[2-(4-tert-butylpiperidin-1-yl)ethyl]-4-(4-methylphenyl)piperazine
PubChem CID171069605
Molecular FormulaC22H37N3
Molecular Weight343.56 g/mol
Exact Mass343.30
IUPAC Name1-[2-(4-tert-butylpiperidin-1-yl)ethyl]-4-(4-methylphenyl)piperazine
SMILESCc1ccc(N2CCN(CCN3CCC(C(C)(C)C)CC3)CC2)cc1
InChIInChI=1S/C22H37N3/c1-19-5-7-21(8-6-19)25-17-15-24(16-18-25)14-13-23-11-9-20(10-12-23)22(2,3)4/h5-8,20H,9-18H2,1-4H3
InChIKeyHHDUTZHTIDVZCT-UHFFFAOYSA-N
XLogP3.88
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.56
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[(1-methylazetidin-3-yl)methyl]-4-(4-methylphenyl)piperazine
CID 135217005
1-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-one;dihydrochloride
CID 161300230
4-(4-tert-butylpiperidin-1-yl)phenol
CID 164764149
4-tert-butyl-1-phenylpiperidine
CID 612454
1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-methylmethanamine
CID 62091433
N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-N-propan-2-ylpropan-2-amine
CID 118857776
ethane;1-[2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethyl]-4-(4-methylphenyl)piperazine
CID 170739195
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-4-ol
CID 28957837
1-[(Z)-2-methylbut-2-enyl]-4-(4-methylphenyl)piperazine
CID 782041
2-[4-(4-methylphenyl)piperazin-1-yl]acetonitrile
CID 82113708
1-(4-tert-butylcyclohexyl)-4-(4-fluorophenyl)piperazin-1-ium
CID 6938604
1-[4-(4-tert-butylpiperidin-1-yl)phenyl]propan-2-amine
CID 63794137

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylpiperidin-1-yl)ethyl]-4-(4-methylphenyl)piperazine?
The IUPAC name of 1-[2-(4-tert-butylpiperidin-1-yl)ethyl]-4-(4-methylphenyl)piperazine (CID 171069605) is 1-[2-(4-tert-butylpiperidin-1-yl)ethyl]-4-(4-methylphenyl)piperazine.
What is the SMILES notation for 1-[2-(4-tert-butylpiperidin-1-yl)ethyl]-4-(4-methylphenyl)piperazine?
The canonical SMILES for 1-[2-(4-tert-butylpiperidin-1-yl)ethyl]-4-(4-methylphenyl)piperazine is Cc1ccc(N2CCN(CCN3CCC(C(C)(C)C)CC3)CC2)cc1.
What is the InChIKey of 1-[2-(4-tert-butylpiperidin-1-yl)ethyl]-4-(4-methylphenyl)piperazine?
The InChIKey is HHDUTZHTIDVZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3/c1-19-5-7-21(8-6-19)25-17-15-24(16-18-25)14-13-23-11-9-20(10-12-23)22(2,3)4/h5-8,20H,9-18H2,1-4H3.
What are the key properties of 1-[2-(4-tert-butylpiperidin-1-yl)ethyl]-4-(4-methylphenyl)piperazine?
1-[2-(4-tert-butylpiperidin-1-yl)ethyl]-4-(4-methylphenyl)piperazine has a molecular weight of 343.56 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylpiperidin-1-yl)ethyl]-4-(4-methylphenyl)piperazine is sourced from PubChem (CID 171069605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).