1-[2-(1-butylpiperidin-4-yl)ethyl]-4-prop-1-en-2-ylpiperazine

C18H35N3 — CID 155034848

IUPAC1-[2-(1-butylpiperidin-4-yl)ethyl]-4-prop-1-en-2-ylpiperazine
SMILESC=C(C)N1CCN(CCC2CCN(CCCC)CC2)CC1
InChIInChI=1S/C18H35N3/c1-4-5-9-19-10-6-18(7-11-19)8-12-20-13-15-21(16-14-20)17(2)3/h18H,2,4-16H2,1,3H3
InChIKeyPZJONBLBTVCWFM-UHFFFAOYSA-N
MW293.50 g/mol
LogP3.04
Rot. Bonds7

About 1-[2-(1-butylpiperidin-4-yl)ethyl]-4-prop-1-en-2-ylpiperazine

1-[2-(1-butylpiperidin-4-yl)ethyl]-4-prop-1-en-2-ylpiperazine (PubChem CID 155034848) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-[2-(1-butylpiperidin-4-yl)ethyl]-4-prop-1-en-2-ylpiperazine.

Molecular Properties

Compound Name1-[2-(1-butylpiperidin-4-yl)ethyl]-4-prop-1-en-2-ylpiperazine
PubChem CID155034848
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name1-[2-(1-butylpiperidin-4-yl)ethyl]-4-prop-1-en-2-ylpiperazine
SMILESC=C(C)N1CCN(CCC2CCN(CCCC)CC2)CC1
InChIInChI=1S/C18H35N3/c1-4-5-9-19-10-6-18(7-11-19)8-12-20-13-15-21(16-14-20)17(2)3/h18H,2,4-16H2,1,3H3
InChIKeyPZJONBLBTVCWFM-UHFFFAOYSA-N
XLogP3.04
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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-[2-(1-butylpiperidin-4-yl)ethyl]-4-prop-1-en-2-ylpiperazine?
The IUPAC name of 1-[2-(1-butylpiperidin-4-yl)ethyl]-4-prop-1-en-2-ylpiperazine (CID 155034848) is 1-[2-(1-butylpiperidin-4-yl)ethyl]-4-prop-1-en-2-ylpiperazine.
What is the SMILES notation for 1-[2-(1-butylpiperidin-4-yl)ethyl]-4-prop-1-en-2-ylpiperazine?
The canonical SMILES for 1-[2-(1-butylpiperidin-4-yl)ethyl]-4-prop-1-en-2-ylpiperazine is C=C(C)N1CCN(CCC2CCN(CCCC)CC2)CC1.
What is the InChIKey of 1-[2-(1-butylpiperidin-4-yl)ethyl]-4-prop-1-en-2-ylpiperazine?
The InChIKey is PZJONBLBTVCWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-4-5-9-19-10-6-18(7-11-19)8-12-20-13-15-21(16-14-20)17(2)3/h18H,2,4-16H2,1,3H3.
What are the key properties of 1-[2-(1-butylpiperidin-4-yl)ethyl]-4-prop-1-en-2-ylpiperazine?
1-[2-(1-butylpiperidin-4-yl)ethyl]-4-prop-1-en-2-ylpiperazine has a molecular weight of 293.50 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-butylpiperidin-4-yl)ethyl]-4-prop-1-en-2-ylpiperazine is sourced from PubChem (CID 155034848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).