1-(cyclobutylmethyl)-2,2-diethyl-5-phenylpiperazine

C19H30N2 — CID 65462682

IUPAC1-(cyclobutylmethyl)-2,2-diethyl-5-phenylpiperazine
SMILESCCC1(CC)CNC(c2ccccc2)CN1CC1CCC1
InChIInChI=1S/C19H30N2/c1-3-19(4-2)15-20-18(17-11-6-5-7-12-17)14-21(19)13-16-9-8-10-16/h5-7,11-12,16,18,20H,3-4,8-10,13-15H2,1-2H3
InChIKeyGDVRBBRDPLWTPE-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.99
Rot. Bonds5

About 1-(cyclobutylmethyl)-2,2-diethyl-5-phenylpiperazine

1-(cyclobutylmethyl)-2,2-diethyl-5-phenylpiperazine (PubChem CID 65462682) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2,2-diethyl-5-phenylpiperazine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2,2-diethyl-5-phenylpiperazine
PubChem CID65462682
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-(cyclobutylmethyl)-2,2-diethyl-5-phenylpiperazine
SMILESCCC1(CC)CNC(c2ccccc2)CN1CC1CCC1
InChIInChI=1S/C19H30N2/c1-3-19(4-2)15-20-18(17-11-6-5-7-12-17)14-21(19)13-16-9-8-10-16/h5-7,11-12,16,18,20H,3-4,8-10,13-15H2,1-2H3
InChIKeyGDVRBBRDPLWTPE-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2,2-diethyl-5-phenylpiperazine?
The IUPAC name of 1-(cyclobutylmethyl)-2,2-diethyl-5-phenylpiperazine (CID 65462682) is 1-(cyclobutylmethyl)-2,2-diethyl-5-phenylpiperazine.
What is the SMILES notation for 1-(cyclobutylmethyl)-2,2-diethyl-5-phenylpiperazine?
The canonical SMILES for 1-(cyclobutylmethyl)-2,2-diethyl-5-phenylpiperazine is CCC1(CC)CNC(c2ccccc2)CN1CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-2,2-diethyl-5-phenylpiperazine?
The InChIKey is GDVRBBRDPLWTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-3-19(4-2)15-20-18(17-11-6-5-7-12-17)14-21(19)13-16-9-8-10-16/h5-7,11-12,16,18,20H,3-4,8-10,13-15H2,1-2H3.
What are the key properties of 1-(cyclobutylmethyl)-2,2-diethyl-5-phenylpiperazine?
1-(cyclobutylmethyl)-2,2-diethyl-5-phenylpiperazine has a molecular weight of 286.46 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2,2-diethyl-5-phenylpiperazine is sourced from PubChem (CID 65462682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).