(2S)-2-butan-2-yl-1-[(1-phenylcyclopropyl)methyl]piperazine

C18H28N2 — CID 23641127

IUPAC(2S)-2-butan-2-yl-1-[(1-phenylcyclopropyl)methyl]piperazine
SMILESCCC(C)C1CNCCN1CC1(c2ccccc2)CC1
InChIInChI=1S/C18H28N2/c1-3-15(2)17-13-19-11-12-20(17)14-18(9-10-18)16-7-5-4-6-8-16/h4-8,15,17,19H,3,9-14H2,1-2H3
InChIKeyNLWCQUCEHSHMTP-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.04
Rot. Bonds5

About (2S)-2-butan-2-yl-1-[(1-phenylcyclopropyl)methyl]piperazine

(2S)-2-butan-2-yl-1-[(1-phenylcyclopropyl)methyl]piperazine (PubChem CID 23641127) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is (2S)-2-butan-2-yl-1-[(1-phenylcyclopropyl)methyl]piperazine.

Molecular Properties

Compound Name(2S)-2-butan-2-yl-1-[(1-phenylcyclopropyl)methyl]piperazine
PubChem CID23641127
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name(2S)-2-butan-2-yl-1-[(1-phenylcyclopropyl)methyl]piperazine
SMILESCCC(C)C1CNCCN1CC1(c2ccccc2)CC1
InChIInChI=1S/C18H28N2/c1-3-15(2)17-13-19-11-12-20(17)14-18(9-10-18)16-7-5-4-6-8-16/h4-8,15,17,19H,3,9-14H2,1-2H3
InChIKeyNLWCQUCEHSHMTP-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-butan-2-yl-1-[(1-phenylcyclopropyl)methyl]piperazine?
The IUPAC name of (2S)-2-butan-2-yl-1-[(1-phenylcyclopropyl)methyl]piperazine (CID 23641127) is (2S)-2-butan-2-yl-1-[(1-phenylcyclopropyl)methyl]piperazine.
What is the SMILES notation for (2S)-2-butan-2-yl-1-[(1-phenylcyclopropyl)methyl]piperazine?
The canonical SMILES for (2S)-2-butan-2-yl-1-[(1-phenylcyclopropyl)methyl]piperazine is CCC(C)C1CNCCN1CC1(c2ccccc2)CC1.
What is the InChIKey of (2S)-2-butan-2-yl-1-[(1-phenylcyclopropyl)methyl]piperazine?
The InChIKey is NLWCQUCEHSHMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-3-15(2)17-13-19-11-12-20(17)14-18(9-10-18)16-7-5-4-6-8-16/h4-8,15,17,19H,3,9-14H2,1-2H3.
What are the key properties of (2S)-2-butan-2-yl-1-[(1-phenylcyclopropyl)methyl]piperazine?
(2S)-2-butan-2-yl-1-[(1-phenylcyclopropyl)methyl]piperazine has a molecular weight of 272.44 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-butan-2-yl-1-[(1-phenylcyclopropyl)methyl]piperazine is sourced from PubChem (CID 23641127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).