1-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-4-prop-1-en-2-ylpiperazine

C18H33N3 — CID 170613106

IUPAC1-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-4-prop-1-en-2-ylpiperazine
SMILESC=C(C)N1CCN(CC2CCN(CC3CCC3)CC2)CC1
InChIInChI=1S/C18H33N3/c1-16(2)21-12-10-20(11-13-21)15-18-6-8-19(9-7-18)14-17-4-3-5-17/h17-18H,1,3-15H2,2H3
InChIKeySFNMBTAYKDAZOH-UHFFFAOYSA-N
MW291.48 g/mol
LogP2.65
Rot. Bonds5

About 1-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-4-prop-1-en-2-ylpiperazine

1-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-4-prop-1-en-2-ylpiperazine (PubChem CID 170613106) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-4-prop-1-en-2-ylpiperazine.

Molecular Properties

Compound Name1-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-4-prop-1-en-2-ylpiperazine
PubChem CID170613106
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name1-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-4-prop-1-en-2-ylpiperazine
SMILESC=C(C)N1CCN(CC2CCN(CC3CCC3)CC2)CC1
InChIInChI=1S/C18H33N3/c1-16(2)21-12-10-20(11-13-21)15-18-6-8-19(9-7-18)14-17-4-3-5-17/h17-18H,1,3-15H2,2H3
InChIKeySFNMBTAYKDAZOH-UHFFFAOYSA-N
XLogP2.65
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-4-prop-1-en-2-ylpiperazine?
The IUPAC name of 1-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-4-prop-1-en-2-ylpiperazine (CID 170613106) is 1-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-4-prop-1-en-2-ylpiperazine.
What is the SMILES notation for 1-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-4-prop-1-en-2-ylpiperazine?
The canonical SMILES for 1-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-4-prop-1-en-2-ylpiperazine is C=C(C)N1CCN(CC2CCN(CC3CCC3)CC2)CC1.
What is the InChIKey of 1-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-4-prop-1-en-2-ylpiperazine?
The InChIKey is SFNMBTAYKDAZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-16(2)21-12-10-20(11-13-21)15-18-6-8-19(9-7-18)14-17-4-3-5-17/h17-18H,1,3-15H2,2H3.
What are the key properties of 1-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-4-prop-1-en-2-ylpiperazine?
1-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-4-prop-1-en-2-ylpiperazine has a molecular weight of 291.48 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-4-prop-1-en-2-ylpiperazine is sourced from PubChem (CID 170613106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).