1-[5-(4-tert-butylpiperidin-1-yl)-2-methylhexan-2-yl]-4-propan-2-ylpiperazine

C23H47N3 — CID 134183908

IUPAC1-[5-(4-tert-butylpiperidin-1-yl)-2-methylhexan-2-yl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C(C)(C)CCC(C)N2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C23H47N3/c1-19(2)24-15-17-26(18-16-24)23(7,8)12-9-20(3)25-13-10-21(11-14-25)22(4,5)6/h19-21H,9-18H2,1-8H3
InChIKeyROCRYVKAKCWGQQ-UHFFFAOYSA-N
MW365.65 g/mol
LogP4.72
Rot. Bonds6

About 1-[5-(4-tert-butylpiperidin-1-yl)-2-methylhexan-2-yl]-4-propan-2-ylpiperazine

1-[5-(4-tert-butylpiperidin-1-yl)-2-methylhexan-2-yl]-4-propan-2-ylpiperazine (PubChem CID 134183908) has the molecular formula C23H47N3 and a molecular weight of 365.65 g/mol. Its IUPAC name is 1-[5-(4-tert-butylpiperidin-1-yl)-2-methylhexan-2-yl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[5-(4-tert-butylpiperidin-1-yl)-2-methylhexan-2-yl]-4-propan-2-ylpiperazine
PubChem CID134183908
Molecular FormulaC23H47N3
Molecular Weight365.65 g/mol
Exact Mass365.38
IUPAC Name1-[5-(4-tert-butylpiperidin-1-yl)-2-methylhexan-2-yl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C(C)(C)CCC(C)N2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C23H47N3/c1-19(2)24-15-17-26(18-16-24)23(7,8)12-9-20(3)25-13-10-21(11-14-25)22(4,5)6/h19-21H,9-18H2,1-8H3
InChIKeyROCRYVKAKCWGQQ-UHFFFAOYSA-N
XLogP4.72
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.65
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-tert-butylpiperidin-1-yl)-2-methylhexan-2-yl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[5-(4-tert-butylpiperidin-1-yl)-2-methylhexan-2-yl]-4-propan-2-ylpiperazine (CID 134183908) is 1-[5-(4-tert-butylpiperidin-1-yl)-2-methylhexan-2-yl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[5-(4-tert-butylpiperidin-1-yl)-2-methylhexan-2-yl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[5-(4-tert-butylpiperidin-1-yl)-2-methylhexan-2-yl]-4-propan-2-ylpiperazine is CC(C)N1CCN(C(C)(C)CCC(C)N2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-[5-(4-tert-butylpiperidin-1-yl)-2-methylhexan-2-yl]-4-propan-2-ylpiperazine?
The InChIKey is ROCRYVKAKCWGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47N3/c1-19(2)24-15-17-26(18-16-24)23(7,8)12-9-20(3)25-13-10-21(11-14-25)22(4,5)6/h19-21H,9-18H2,1-8H3.
What are the key properties of 1-[5-(4-tert-butylpiperidin-1-yl)-2-methylhexan-2-yl]-4-propan-2-ylpiperazine?
1-[5-(4-tert-butylpiperidin-1-yl)-2-methylhexan-2-yl]-4-propan-2-ylpiperazine has a molecular weight of 365.65 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-tert-butylpiperidin-1-yl)-2-methylhexan-2-yl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 134183908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).