1-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-4-prop-1-en-2-ylpiperazine

C18H35N3 — CID 155702590

IUPAC1-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-4-prop-1-en-2-ylpiperazine
SMILESC=C(C)N1CCN(CCCC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C18H35N3/c1-16(2)20-10-7-18(8-11-20)6-5-9-19-12-14-21(15-13-19)17(3)4/h16,18H,3,5-15H2,1-2,4H3
InChIKeyCOTOTDOYICRCFZ-UHFFFAOYSA-N
MW293.50 g/mol
LogP3.04
Rot. Bonds6

About 1-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-4-prop-1-en-2-ylpiperazine

1-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-4-prop-1-en-2-ylpiperazine (PubChem CID 155702590) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-4-prop-1-en-2-ylpiperazine.

Molecular Properties

Compound Name1-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-4-prop-1-en-2-ylpiperazine
PubChem CID155702590
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name1-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-4-prop-1-en-2-ylpiperazine
SMILESC=C(C)N1CCN(CCCC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C18H35N3/c1-16(2)20-10-7-18(8-11-20)6-5-9-19-12-14-21(15-13-19)17(3)4/h16,18H,3,5-15H2,1-2,4H3
InChIKeyCOTOTDOYICRCFZ-UHFFFAOYSA-N
XLogP3.04
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-4-prop-1-en-2-ylpiperazine?
The IUPAC name of 1-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-4-prop-1-en-2-ylpiperazine (CID 155702590) is 1-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-4-prop-1-en-2-ylpiperazine.
What is the SMILES notation for 1-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-4-prop-1-en-2-ylpiperazine?
The canonical SMILES for 1-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-4-prop-1-en-2-ylpiperazine is C=C(C)N1CCN(CCCC2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 1-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-4-prop-1-en-2-ylpiperazine?
The InChIKey is COTOTDOYICRCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-16(2)20-10-7-18(8-11-20)6-5-9-19-12-14-21(15-13-19)17(3)4/h16,18H,3,5-15H2,1-2,4H3.
What are the key properties of 1-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-4-prop-1-en-2-ylpiperazine?
1-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-4-prop-1-en-2-ylpiperazine has a molecular weight of 293.50 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-4-prop-1-en-2-ylpiperazine is sourced from PubChem (CID 155702590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).